Pinned Repositories
affinity2vec
AttentionDTA
bitnet_binding_pocket
DeepMDS
Deep learning based multi-drug synergy prediction model for individually optimized anti-cancer therapy
DGraphDTA
DILI
energy_scoring_function
fragmentation_and_assemble
LigandMMPA
trochdrug
hengwei-chan's Repositories
hengwei-chan/bitnet_binding_pocket
hengwei-chan/energy_scoring_function
hengwei-chan/fragmentation_and_assemble
hengwei-chan/RDKit_summary
hengwei-chan/SBMolgen_MCT
hengwei-chan/smiles_onehot
hengwei-chan/3D_SBDD
hengwei-chan/active-learning-with-MPNN
hengwei-chan/extraion_fragment_from_cpds
hengwei-chan/fragassembler
hengwei-chan/fragment-based-de-novo
hengwei-chan/fragmentation_1
hengwei-chan/fragmentation_MIN
hengwei-chan/GeomGCLL
hengwei-chan/getmol
hengwei-chan/graph_MCTS
hengwei-chan/graph_network_demo
hengwei-chan/hengwei-chan
Config files for my GitHub profile.
hengwei-chan/https-github.com-PattanaikL-rmsd
rmsd_calculate struture difference between two cmps
hengwei-chan/kpgt_graph_transformer
hengwei-chan/mmpdb
hengwei-chan/mol_dqn
hengwei-chan/molecular_attention_transformer
hengwei-chan/molecularGNN_3Dstructure
hengwei-chan/molssi_best_practices
hengwei-chan/nn_vis_network_visualization
hengwei-chan/protein_sequence_classification
hengwei-chan/protein_specific_drug_design
hengwei-chan/rmsd-to-calculate-structural-difference-between-2-cmps
hengwei-chan/standard_smiles