Pinned Repositories
fragment_network_merges
FragmentKnitwork
fbdd_demo
docker-neo4j
A specialised build of neo4j used by a number of projects
A71EV2A_compound_order_2
A71EV2A_iteration1_cmpd_order
A71EV2A_June
CHIKV-compound-order-iteration-1
Demo-removing-stringy-molecules
elaboratability
stephwills's Repositories
stephwills/FragmentKnitwork
stephwills/docker-neo4j
A specialised build of neo4j used by a number of projects
stephwills/predictelab
stephwills/elaboratability
stephwills/py3Dmol_demo
stephwills/malhotra_subset
stephwills/A71EV2A_June
stephwills/A71EV2A_compound_order_2
stephwills/CHIKV-compound-order-iteration-1
stephwills/A71EV2A_iteration1_cmpd_order
stephwills/fragment_network_merges
stephwills/PLANET
stephwills/PSG-BAR
This is the code for our paper Ligand Binding Prediction using Protein Structure Graphs and Residual Graph Attention Networks
stephwills/Demo-removing-stringy-molecules
stephwills/fragment-ranking
A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results of fragment screens on many diverse targets, this method has been shown to select a set of functionally diverse fragments that can get information more efficiently from new targets.
stephwills/fbdd_demo