119 Repositories
practical_cheminformatics_tutorials
1293
resources_2025
266
useful_rdkit_utils
236
resources
199
rd_filters
172
chem_tutorial
90
TS
81
practical_cheminformatics_posts
73
Free-Wilson
67
workshop
66
solubility
65
metk
28
practicalcheminformatics
27
fragment_expansion
27
sfi
25
kmeans
22
marimo_chem_utils
20
Learning_Cheminformatics
19
chembl_sim
19
protonate_utils
18
frankenrocs
17
silly_walks
17
EFMC
16
yamc
16
interactive_plots
15
rapids_cheminformatics
14
pantry_of_peculiarities
14
cheminformaticsbook
13
PatWalters
12
dissecting_hype
12
faiss_kmeans
11
comparing_classifiers
10
ChEMBL-Search
10
antibiotic
10
active_learning_tutorials
10
clusterama
8
TS_2025
8
ae_ood
8
marimo_cheminformatics
7
qsar
6
protein_tools
6
patwalters.github.io
6
drug_like
6
CADD_GRC_2019
6
cadd_grc_2013
6
mpro_analysis
5
FEP_TI_Comparison
5
beyond_lipinski
5
benchmark_gp
5
transformer
5