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0 积分 2023-07-21 加入
DrugEx v3: scaffold-constrained drug design with graph transformer-based reinforcement learning
8个月前
已完结
DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space
8个月前
已完结
Computing the relative binding affinity of ligands based on a pairwise binding comparison network
10个月前
已完结
Efficient prediction of relative ligand binding affinity in drug discovery
10个月前
已完结
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
1年前
已完结
One Transformer Can Understand Both 2D & 3D Molecular Data
1年前
已完结
Uni-GBSA: an open-source and web-based automatic workflow to perform MM/GB(PB)SA calculations for virtual screening
1年前
已完结
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