lhm30

Pinned Repositories

e3fp
3D molecular fingerprints
Language:Python0 1 00
guacamol
Benchmarks for generative chemistry
Language:Python0 1 00
PIDGIN
Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)
Language:Python13 10 02
PIDGINv2
PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)
Language:Python30 2 28
PIDGINv3
Protein target prediction using random forests and reliability-density neighbourhood analysis
Language:Python40 6 814
PubChem_Actives_Inactives
Download confirmed inactive compounds for a given Uniprot/EGID Query
Language:Python3 1 20
RDKit_NN_Analysis_ECFP_Gobbi_FPs
Parallel K-NN intra- inter- similarity analysis for EFCP/GOBBI compound fingerprints
Language:Python2 1 01
scikitlearn_clustermap_rdkit_bicluster_molecules
hacked code to bicluster molecules using rdkit and scikitlearn
Language:Python0 1 00

lhm30's Repositories

lhm30/PIDGINv3
Protein target prediction using random forests and reliability-density neighbourhood analysis
Language:Python40 6 814
lhm30/PIDGINv2
PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)
Language:Python30 2 28
lhm30/PIDGIN
Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)
Language:Python13 10 02
lhm30/PubChem_Actives_Inactives
Download confirmed inactive compounds for a given Uniprot/EGID Query
Language:Python3 1 20
lhm30/RDKit_NN_Analysis_ECFP_Gobbi_FPs
Parallel K-NN intra- inter- similarity analysis for EFCP/GOBBI compound fingerprints
Language:Python2 1 01
lhm30/e3fp
3D molecular fingerprints
Language:Python0 1 00
lhm30/guacamol
Benchmarks for generative chemistry
Language:Python0 1 00
lhm30/scikitlearn_clustermap_rdkit_bicluster_molecules
hacked code to bicluster molecules using rdkit and scikitlearn
Language:Python0 1 00