41 Repositories
smilesDrawer
530
tmap
246
map4
119
mhfp
97
RAscore
91
drfp
79
faerun-python
75
CASP-and-dataset-performance
48
MLpeptide
35
lore
30
MultiStepRetrosynthesisTTL
27
PeptideDesignGA
17
OpenNMT-py
16
faerun
16
RingBreaker
12
GDBChEMBL
10
virtual-reality-chemical-space
9
MAP4-Chemical-Space-of-NPAtlas
8
Coconut-TMAP-SVM
8
PDGA-MAP4_AP
7
LLM_classifier
7
webMolCS
5
SimilaritySearch
4
pca
4
alchemical_pairs
4
10E60
4
underdarkgo
3
ML-PDGA-anticancer-peptides
3
LSTM_DrugAnalogGeneration
3
NPstereo
2
mxfp_python
2
LipidatedNPs
2
mapchiral
1
GPT3_classifier
1
underdark-example-data
0
T25_analogs
0
PPB3
0
pdga
0
codrops-scribbler
0
cdnjs
0
Casper
0