cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/45vsfrghdr
title: Code for DNA circuit based implementation of a convolutional neural network

description: We trained the multilayered convolution and full-connection network for image classification task between 6 categories of symbols: handwritten digits 2, 3, 4, 6 and handwritten English letters A and B. The Arabic numerals are from the corresponding subset of Modified National Institute of Standards and Technology (MNIST (Deng, 2012)) dataset, and English alphabets from the extended MNIST (EMNIST (Cohen et al., 2017)) dataset. 

Since the original image is 28×28 in both of the dataset, we resized them with bilinear interpolation to 8×8 (for digits 2 and 3) and 12×12 (for digits 4 and 6, letter A and B). Since the total parameter counts are rather small (a total of 33 for the network distinguishing 2 and 4, 38 for distinguishing 3 and 6, and 21 for distinguishing A and B), the size of each training subset in the MNIST/EMNIST is sufficient to saturate network performance (about 4000 images per category in the training subset). The testing set is the subset of the MNIST/EMNIST test set and contains about 800 images per category. These input cells are continuous floating point values between [0, 1].

The network differentiating between digits consists of 4 layers. Since each input of the layer should be constrained within [0, 1], we scale the output by a factor before entering the next layer of network.

$$ A = \frac{ \mathrm{ReLU}(I*K_A-b_A)}{\sum \sum K_A-b_A} $$
$$ B = \frac{ \mathrm{ReLU}(A*K_B-b_B)}{ \sum \sum K_B-b_B } $$
$$ C = \mathrm{ReLU}(W_C B-b_C) $$
$$ D = W_D C - b_D $$

We ensured K_A,b_A,K_B,b_B,W_C,b_C,C,W_D and b_D to be within [0, 1]. K_B is a 2×2 convolution kernel with stride 2, and in case of 8×8 input, K_A is of size 2×2 with stride 2. In case of 12×12 input, K_A is of size 3×3 with stride 3. We reduce the number of the fully connected layer in the classification task between letter A and B.

$$ E = W_E B $$

Since the direct output D or E are not necessarily between 0 and 1, we apply the softmax function before the training loss, after multiplying back the scaling factor that we have divided previously.

$$ y_{1,2} = D (\sum \sum K_A - b_A )(\sum \sum K_B-b_B) $$

Or in the case of classification of English letters, 

$$ y_{1,2} = E (\sum \sum K_A-b_A )(\sum \sum K_B-b_B) $$
$$ \hat{p_i} = \frac{\exp {y_i}}{\exp{y_1} + \exp{y_2}} $$

We use the sparse categorical cross-entropy loss function

$$ L = \frac{1}{N} \sum_i^N {p_i \log \hat{p_i} +(1-p_i) log (1-\hat{p_i})} $$

The training is performed on PyTorch (Paszke et al., 2019) platform, learning rate is set to 0.0001 with stochastic gradient descent (SGD) with weight decay 0.0001 and momentum 0.5. The network is trained for 100k iterations, and after each iteration, the weights and biases are clamped within [0, 1]. The weight matrices are initialized by Gaussian distribution with mean 0.5 and standard deviation 0.15. The performance of the network on the training and testing set is similar, indicating no significant overfitting.
DOI: 10.5517/cc71pkh
title: CCDC 210166: Experimental Crystal Structure Determination

description: Related Article: Y.In, S.Kishima, K.Minoura, T.Nose, Y.Shimohigashi, T.Ishida|2003|Chem.Pharm.Bull.|51|1258|doi:10.1248/cpb.51.1258
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc71plj
title: CCDC 210167: Experimental Crystal Structure Determination

description: Related Article: Y.In, S.Kishima, K.Minoura, T.Nose, Y.Shimohigashi, T.Ishida|2003|Chem.Pharm.Bull.|51|1258|doi:10.1248/cpb.51.1258
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc79dsp
title: CCDC 217582: Experimental Crystal Structure Determination

description: Related Article: Wen-Yann Yeh, Yen-Chung Liu, Shie-Ming Peng, Gene-Hsiang Lee|2004|J.Organomet.Chem.|689|1014|doi:10.1016/j.jorganchem.2003.12.040
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.17632/45vsfrghdr.1
title: Code for DNA circuit based implementation of a convolutional neural network

description: We trained the multilayered convolution and full-connection network for image classification task between 6 categories of symbols: handwritten digits 2, 3, 4, 6 and handwritten English letters A and B. The Arabic numerals are from the corresponding subset of Modified National Institute of Standards and Technology (MNIST (Deng, 2012)) dataset, and English alphabets from the extended MNIST (EMNIST (Cohen et al., 2017)) dataset. 

Since the original image is 28×28 in both of the dataset, we resized them with bilinear interpolation to 8×8 (for digits 2 and 3) and 12×12 (for digits 4 and 6, letter A and B). Since the total parameter counts are rather small (a total of 33 for the network distinguishing 2 and 4, 38 for distinguishing 3 and 6, and 21 for distinguishing A and B), the size of each training subset in the MNIST/EMNIST is sufficient to saturate network performance (about 4000 images per category in the training subset). The testing set is the subset of the MNIST/EMNIST test set and contains about 800 images per category. These input cells are continuous floating point values between [0, 1].

The network differentiating between digits consists of 4 layers. Since each input of the layer should be constrained within [0, 1], we scale the output by a factor before entering the next layer of network.

$$ A = \frac{ \mathrm{ReLU}(I*K_A-b_A)}{\sum \sum K_A-b_A} $$
$$ B = \frac{ \mathrm{ReLU}(A*K_B-b_B)}{ \sum \sum K_B-b_B } $$
$$ C = \mathrm{ReLU}(W_C B-b_C) $$
$$ D = W_D C - b_D $$

We ensured K_A,b_A,K_B,b_B,W_C,b_C,C,W_D and b_D to be within [0, 1]. K_B is a 2×2 convolution kernel with stride 2, and in case of 8×8 input, K_A is of size 2×2 with stride 2. In case of 12×12 input, K_A is of size 3×3 with stride 3. We reduce the number of the fully connected layer in the classification task between letter A and B.

$$ E = W_E B $$

Since the direct output D or E are not necessarily between 0 and 1, we apply the softmax function before the training loss, after multiplying back the scaling factor that we have divided previously.

$$ y_{1,2} = D (\sum \sum K_A - b_A )(\sum \sum K_B-b_B) $$

Or in the case of classification of English letters, 

$$ y_{1,2} = E (\sum \sum K_A-b_A )(\sum \sum K_B-b_B) $$
$$ \hat{p_i} = \frac{\exp {y_i}}{\exp{y_1} + \exp{y_2}} $$

We use the sparse categorical cross-entropy loss function

$$ L = \frac{1}{N} \sum_i^N {p_i \log \hat{p_i} +(1-p_i) log (1-\hat{p_i})} $$

The training is performed on PyTorch (Paszke et al., 2019) platform, learning rate is set to 0.0001 with stochastic gradient descent (SGD) with weight decay 0.0001 and momentum 0.5. The network is trained for 100k iterations, and after each iteration, the weights and biases are clamped within [0, 1]. The weight matrices are initialized by Gaussian distribution with mean 0.5 and standard deviation 0.15. The performance of the network on the training and testing set is similar, indicating no significant overfitting.
DOI: 10.5517/cc7fxfz
title: CCDC 221911: Experimental Crystal Structure Determination

description: Related Article: M.J.Hesford, N.J.Hill, W.Levason, G.Reid|2004|J.Organomet.Chem.|689|1006|doi:10.1016/j.jorganchem.2003.12.033
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc7fxg0
title: CCDC 221912: Experimental Crystal Structure Determination

description: Related Article: M.J.Hesford, N.J.Hill, W.Levason, G.Reid|2004|J.Organomet.Chem.|689|1006|doi:10.1016/j.jorganchem.2003.12.033
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc79php
title: CCDC 217852: Experimental Crystal Structure Determination

description: Related Article: M.Nomura, H.Hatano, T.Fujita, Y.Eguchi, R.Abe, M.Yokoyama, C.Takayama, T.Akiyama, A.Sugimori, M.Kajitani|2004|J.Organomet.Chem.|689|997|doi:10.1016/j.jorganchem.2003.12.005
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc7fxh1
title: CCDC 221913: Experimental Crystal Structure Determination

description: Related Article: M.J.Hesford, N.J.Hill, W.Levason, G.Reid|2004|J.Organomet.Chem.|689|1006|doi:10.1016/j.jorganchem.2003.12.033
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc7d2xl
title: CCDC 220159: Experimental Crystal Structure Determination

description: Related Article: M.I.Bruce, A.C.Meier, B.W.Skelton, A.H.White, N.N.Zaitseva|2004|J.Organomet.Chem.|689|965|doi:10.1016/j.jorganchem.2003.12.031
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc7d2ym
title: CCDC 220160: Experimental Crystal Structure Determination

description: Related Article: M.I.Bruce, A.C.Meier, B.W.Skelton, A.H.White, N.N.Zaitseva|2004|J.Organomet.Chem.|689|965|doi:10.1016/j.jorganchem.2003.12.031
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.17632/5vpb5rzv7s
title: Demand Disagreement Data Part A

description: This data is for the paper "Demand Disagreement" by Christian Heyerdahl-Larsen and Philipp Illeditsch. For details, please see the attached README file. The data in split into three different repositories - Part A, B and C. This is Part A. Part B (DOI: 10.17632/md24pnhz67) contains the rest of the data for the paper. Part C (DOI: 10.17632/rk343v5jk4.1) contains the remaining data for the online appendix.
DOI: 10.5517/cc75rbg
title: CCDC 214065: Experimental Crystal Structure Determination

description: Related Article: Fei Chang, Dongheng Zhang, Guiyun Xu, Haijian Yang, Jitai Li, Haibin Song, Wen-Hua Sun|2004|J.Organomet.Chem.|689|936|doi:10.1016/j.jorganchem.2003.12.024
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc7grr5
title: CCDC 222727: Experimental Crystal Structure Determination

description: Related Article: Lan-Chang Liang, Pei-Ying Lee, Wang-Ling Lan, Chen-Hsiung Hung|2004|J.Organomet.Chem.|689|947|doi:10.1016/j.jorganchem.2003.12.035
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc75rch
title: CCDC 214066: Experimental Crystal Structure Determination

description: Related Article: Fei Chang, Dongheng Zhang, Guiyun Xu, Haijian Yang, Jitai Li, Haibin Song, Wen-Hua Sun|2004|J.Organomet.Chem.|689|936|doi:10.1016/j.jorganchem.2003.12.024
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.17632/5vpb5rzv7s.2
title: Demand Disagreement Data Part A

description: This data is for the paper "Demand Disagreement" by Christian Heyerdahl-Larsen and Philipp Illeditsch. For details, please see the attached README file. The data in split into three different repositories - Part A, B and C. This is Part A. Part B (DOI: 10.17632/md24pnhz67) contains the rest of the data for the paper. Part C (DOI: 10.17632/rk343v5jk4.1) contains the remaining data for the online appendix.
DOI: 10.5517/cc7d08w
title: CCDC 220077: Experimental Crystal Structure Determination

description: Related Article: Imtiaz-ud-Din, M. Mazhar, Khalid M. Khan, M.F. Mahon, K.C. Molloy|2004|J.Organomet.Chem.|689|899|doi:10.1016/j.jorganchem.2003.12.019
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc7d7mg
title: CCDC 220305: Experimental Crystal Structure Determination

description: Related Article: M.C.Ortega-Alfaro, N.Hernandez, I.Cerna, J.G.Lopez-Cortes, E.Gomez, R.A.Toscano, C.Alvarez-Toledano|2004|J.Organomet.Chem.|689|885|doi:10.1016/j.jorganchem.2003.12.015
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc7d7nh
title: CCDC 220306: Experimental Crystal Structure Determination

description: Related Article: M.C.Ortega-Alfaro, N.Hernandez, I.Cerna, J.G.Lopez-Cortes, E.Gomez, R.A.Toscano, C.Alvarez-Toledano|2004|J.Organomet.Chem.|689|885|doi:10.1016/j.jorganchem.2003.12.015
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc7d7qk
title: CCDC 220308: Experimental Crystal Structure Determination

description: Related Article: M.C.Ortega-Alfaro, N.Hernandez, I.Cerna, J.G.Lopez-Cortes, E.Gomez, R.A.Toscano, C.Alvarez-Toledano|2004|J.Organomet.Chem.|689|885|doi:10.1016/j.jorganchem.2003.12.015
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.17632/6d9bssftcw
title: App-Supported Spaced Retrieval Practice: Effects on Academic Performance

description: The present study examines the effects on high-school students’ achievement of an intervention involving a mobile app designed to support distributed retrieval practice in the subject of History of Philosophy over an entire academic year. Data on the effects of app usage in two different schools are consistent with greater academic improvement between pre-test and post-test scores among the experimental groups, compared with the control groups who did not use the app, even after controlling for cognitive ability. In addition, app usage, quantified as the number of questions answered by students, showed a statistically significant association with post-test performance after controlling for prior performance and cognitive ability.
DOI: 10.5517/cc76f0v
title: CCDC 214706: Experimental Crystal Structure Determination

description: Related Article: J.Honzicek, P.Nachtigall, I.Cisarova, J.Vinklarek|2004|J.Organomet.Chem.|689|1180|doi:10.1016/j.jorganchem.2003.11.042
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc7d7rl
title: CCDC 220309: Experimental Crystal Structure Determination

description: Related Article: M.C.Ortega-Alfaro, N.Hernandez, I.Cerna, J.G.Lopez-Cortes, E.Gomez, R.A.Toscano, C.Alvarez-Toledano|2004|J.Organomet.Chem.|689|885|doi:10.1016/j.jorganchem.2003.12.015
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.17632/6d9bssftcw.1
title: App-Supported Spaced Retrieval Practice: Effects on Academic Performance

description: The present study examines the effects on high-school students’ achievement of an intervention involving a mobile app designed to support distributed retrieval practice in the subject of History of Philosophy over an entire academic year. Data on the effects of app usage in two different schools are consistent with greater academic improvement between pre-test and post-test scores among the experimental groups, compared with the control groups who did not use the app, even after controlling for cognitive ability. In addition, app usage, quantified as the number of questions answered by students, showed a statistically significant association with post-test performance after controlling for prior performance and cognitive ability.
DOI: 10.5517/cc76f1w
title: CCDC 214707: Experimental Crystal Structure Determination

description: Related Article: J.Honzicek, P.Nachtigall, I.Cisarova, J.Vinklarek|2004|J.Organomet.Chem.|689|1180|doi:10.1016/j.jorganchem.2003.11.042
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc7j7rq
title: CCDC 224153: Experimental Crystal Structure Determination

description: Related Article: G.Zamora, J.Pons, X.Solans, M.Font-Bardia, J.Ros|2004|J.Organomet.Chem.|689|980|doi:10.1016/j.jorganchem.2003.12.036
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.17632/hxzn2s248x
title: TNO trust experiment data

description: This is the raw experimental data from the academic paper “Effect of Information Transparency and Color on Human-Machine Trust and Work Performance in Autonomous Driving,” containing data elements such as compliance rate, reaction time, and accuracy rate.
DOI: 10.5517/cc746n6
title: CCDC 212587: Experimental Crystal Structure Determination

description: Related Article: Wen-Hua Sun, Wen Zhang, Tielong Gao, Xiubo Tang, Liyi Chen, Yan Li, Xianglin Jin|2004|J.Organomet.Chem.|689|917|doi:10.1016/j.jorganchem.2003.12.022
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc746p7
title: CCDC 212588: Experimental Crystal Structure Determination

description: Related Article: Wen-Hua Sun, Wen Zhang, Tielong Gao, Xiubo Tang, Liyi Chen, Yan Li, Xianglin Jin|2004|J.Organomet.Chem.|689|917|doi:10.1016/j.jorganchem.2003.12.022
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.17632/hxzn2s248x.1
title: TNO trust experiment data

description: This is the raw experimental data from the academic paper “Effect of Information Transparency and Color on Human-Machine Trust and Work Performance in Autonomous Driving,” containing data elements such as compliance rate, reaction time, and accuracy rate.
DOI: 10.5517/cc7j11t
title: CCDC 223945: Experimental Crystal Structure Determination

description: Related Article: Wen-Hua Sun, Wen Zhang, Tielong Gao, Xiubo Tang, Liyi Chen, Yan Li, Xianglin Jin|2004|J.Organomet.Chem.|689|917|doi:10.1016/j.jorganchem.2003.12.022
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.