jaykmr commited on
Commit
de0f8b9
1 Parent(s): 504d61d

Create README.md

Browse files
Files changed (1) hide show
  1. README.md +101 -0
README.md ADDED
@@ -0,0 +1,101 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ---
2
+ license: mit
3
+ widget:
4
+ - text: "MERVAVVGVPMDLGANRRGVDMGPSALRYARLLEQLEDLGYTVEDLGDVPVSLARASRRRGRGLAYLEEIRAAALVLKERLAALPEGVFPIVLGGDHSLSMGSVAGAARGRRVGVVWVDAHADFNTPETSPSGNVHGMPLAVLSGLGHPRLTEVFRAVDPKDVVLVGVRSLDPGEKRLLKEAGVRVY"
5
+ ---
6
+
7
+ ## Label Semantics:
8
+
9
+ Label 0: Non-crystallizable (Negative)
10
+
11
+ Label 1: Crystallizable (Positive)
12
+
13
+ ## Dataset
14
+
15
+ 1. [DeepCrystal Train](https://huggingface.co/jaykmr/ESMCrystal_t6_8M_v1/blob/main/Datasets/train.csv)
16
+ 2. [DeepCrystal Test](https://huggingface.co/jaykmr/ESMCrystal_t6_8M_v1/blob/main/Datasets/test.csv)
17
+ 3. [BCrystal Test](https://huggingface.co/jaykmr/ESMCrystal_t6_8M_v1/tree/main/Datasets/BCrystal_Balanced_Test_set)
18
+ 4. [SP Test](https://huggingface.co/jaykmr/ESMCrystal_t6_8M_v1/tree/main/Datasets/SP_Final_set)
19
+ 5. [TR Test](https://huggingface.co/jaykmr/ESMCrystal_t6_8M_v1/tree/main/Datasets/TR_Final_set)
20
+
21
+ ## Accuracy :
22
+
23
+
24
+ | Dataset | Accuracy |
25
+ |------------------|--------------------|
26
+ | DeepCrystal Test | |
27
+ | BCrystal test | |
28
+ | SP test | |
29
+ | TR test | |
30
+
31
+ ## Comparision Table:
32
+
33
+
34
+
35
+ ## Graphs
36
+
37
+ ### ROC-AUC Curve
38
+
39
+
40
+
41
+ ### PR-AUC Curve
42
+
43
+
44
+ ## Final scores :
45
+
46
+
47
+ * on DeepCrystal test:
48
+
49
+
50
+ * on BCrystal test:
51
+
52
+
53
+ * on SP test:
54
+
55
+
56
+ * on TR test:
57
+
58
+
59
+ ## Confusion matrix:
60
+
61
+ * on DeepCrystal test:
62
+
63
+
64
+ * on BCrystal test:
65
+
66
+
67
+ * on SP test:
68
+
69
+
70
+ * on TR test:
71
+
72
+
73
+
74
+ ## Metrics
75
+
76
+
77
+
78
+ roc score:
79
+
80
+
81
+ Mathews Coefficient:
82
+
83
+
84
+ NPV:
85
+
86
+
87
+
88
+ PPV:
89
+
90
+
91
+
92
+ Researchers:
93
+
94
+ * [Jayanth Kumar](https://jaykmr.com)
95
+ * [Kavya Jaykumar](https://www.linkedin.com/in/kavya-jayakumar-6390271b5/)
96
+
97
+ Credits:
98
+
99
+ * [Meta ESMFold2](https://github.com/facebookresearch/esm)
100
+ * [Huggingface](https://huggingface.co/)
101
+ * [Paperspace Compute Cloud](https://www.paperspace.com/)