Pinned Repositories
Benchmarks
ECP-CANDLE Benchmarks
Deep-Docking-NonAutomated
graph-dock
GNN enabled surrogate modeling for chemical docking
molpal
active learning for accelerated high-throughput virtual screening
V-dock
V-dock de novo molecular design workflow
AI-IMPROVE's Repositories
AI-IMPROVE/Benchmarks
ECP-CANDLE Benchmarks
AI-IMPROVE/Deep-Docking-NonAutomated
AI-IMPROVE/graph-dock
GNN enabled surrogate modeling for chemical docking
AI-IMPROVE/molpal
active learning for accelerated high-throughput virtual screening
AI-IMPROVE/V-dock
V-dock de novo molecular design workflow