Model: Derify/ChemMRL-beta
Author: Derify
Pipeline: sentence-similarity
Library: sentence-transformers
Tags: sentence-transformers, safetensors, roberta, molecular-similarity, feature-extraction, dense, generated_from_trainer, loss:Matryoshka2dLoss, loss:MatryoshkaLoss, loss:TanimotoSentLoss, sentence-similarity, dataset:Derify/pubchem_10m_genmol_similarity, arxiv:1908.10084, arxiv:2402.14776, arxiv:2205.13147, base_model:Derify/ChemBERTa-druglike, base_model:finetune:Derify/ChemBERTa-druglike, license:apache-2.0, model-index, text-embeddings-inference, endpoints_compatible, region:us
Base models (finetune): id: Derify/ChemBERTa-druglike
Card metadata: license: apache-2.0
tags: sentence-transformers, molecular-similarity, feature-extraction, dense, generated_from_trainer, loss:Matryoshka2dLoss, loss:MatryoshkaLoss, loss:TanimotoSentLoss
base_model: Derify/ChemBERTa-druglike
widget: source_sentence: CC1CCc2c(N)nc(C3CCCC3)n2C1
sentences: CC1CCc2c(N)nc(OC3CC3)n2C1, CN1CC[NH+](C[C@H](O)C2CC2)C2(CCCCC2)C1, Cc1c(F)cc(CNCC2CCC(C3CCC(C)CO3)CO2)cc1F, source_sentence: CC(CCCO)NC(=O)CNc1ccccc1
sentences: CC(CCCO)N[C@H]1CCCN(Nc2ccccc2)[C@H]1C, Cc1ccc(OC2=NCCO2)nc1, Cc1ccccc1C#Cc1ccccc1N(O)c1ccccc1, source_sentence: CCCCCCCc1ccc(CC=N[NH+]=C(N)N)cc1
sentences: COCC1(N2CCN(C)CC2)CCC[NH+]1Cc1cnc(N(C)C)nc1, Cc1ccc(N=C(c2ccccc2)c2ccc(-n3ccnn3)cc2)cc1, CCCCCCCc1cncc(CC=N[NH+]=C(N)N)c1, source_sentence: CC(=CCCS(=O)(=O)[O-])C(=O)OCCCS(=O)(=O)[O-]
sentences: CC(=CCCS(=O)(=O)[O-])C(=O)OCCCS(=O)(=O)[O-], CCCCCOc1ccc(NC(=S)NC=O)cc1, CCC(=O)N1CCCC(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1, source_sentence: Clc1nccc(C#CCCc2nc3ccccc3o2)n1
sentences: O=Cc1nc2ccccc2o1, O=C([O-])COc1ccc(CCCS(=O)(=O)c2ccc(Cl)cc2)cc1NC(=O)c1cccc(C=Cc2nc3ccccc3s2)c1, O[C@H]1CN(C(Cc2ccccc2)c2ccccc2)C[C@@H]1Cc1cnc[nH]1
datasets: Derify/pubchem_10m_genmol_similarity
pipeline_tag: sentence-similarity
library_name: sentence-transformers
metrics: spearman
model-index: name: ChemMRL: SMILES Matryoshka Representation Learning Embedding Transformer
results: task: type: semantic-similarity
name: Semantic Similarity
dataset: name: pubchem 10m genmol similarity
type: pubchem_10m_genmol_similarity
metrics: type: spearman
value: 0.9932120589500998
name: Spearman
verified: no
new_version: Derify/ChemMRL
Likes: 0 | All-time downloads: 1510
Created: 2025-08-18 23:33:42