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58

234

mit

8

EquiDock: geometric deep learning for fast rigid 3D protein-protein docking

docking geometry proteins deeplearning equivariance drugdiscovery drug-discovery graphneuralnetwork equivariant-network equivariant-representations protein-protein-interaction

Created 2022-02-04

20 commits to main branch, last one 2 years ago

11

89

apache-2.0

1

PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence data

drugdiscovery binding-affinity functional-effects protein-ligand-interactions

Created 2023-09-15

48 commits to main branch, last one 6 months ago

8

49

mit

4

SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)

fairseq protein pytorch deep-learning drugdiscovery multitask-learning attention-mechanism drug-target-affinity drug-target-interaction semi-supervised-learning

Created 2022-03-03

57 commits to main branch, last one 6 months ago