44 Repositories
smilesDrawer
601
tmap
261
map4
125
RAscore
100
mhfp
98
drfp
83
faerun-python
76
CASP-and-dataset-performance
49
MLpeptide
37
lore
30
MultiStepRetrosynthesisTTL
29
PeptideDesignGA
17
faerun
17
OpenNMT-py
16
RingBreaker
13
GDBChEMBL
10
virtual-reality-chemical-space
9
MAP4-Chemical-Space-of-NPAtlas
9
Coconut-TMAP-SVM
9
PDGA-MAP4_AP
7
LLM_classifier
7
webMolCS
5
SimilaritySearch
4
pca
4
alchemical_pairs
4
10E60
4
underdarkgo
3
PPB3
3
NPstereo
3
ML-PDGA-anticancer-peptides
3
LSTM_DrugAnalogGeneration
3
mxfp_python
2
mapchiral
2
LipidatedNPs
2
GPT3_classifier
1
underdark-example-data
0
tmap2
0
T25_analogs
0
pdga
0
GDB-ML
0
codrops-scribbler
0
Chelombus
0
cdnjs
0
Casper
0