stephwills

Pinned Repositories

A71EV2A_compound_order_2
00
A71EV2A_iteration1_cmpd_order
0 1 00
A71EV2A_June
0 1 00
CHIKV-compound-order-iteration-1
0 1 00
Demo-removing-stringy-molecules
Language:Jupyter Notebook00
docker-neo4j
A specialised build of neo4j used by a number of projects
Language:Shell10
elaboratability
Language:Python00
fbdd_demo
Language:Jupyter Notebook30
fragment_network_merges
Language:Python4 2 113
FragmentKnitwork
Language:Python4 1 01

stephwills's Repositories

stephwills/fragment_network_merges
Language:Python4 2 113
stephwills/FragmentKnitwork
Language:Python4 1 01
stephwills/fbdd_demo
Language:Jupyter Notebook30
stephwills/docker-neo4j
A specialised build of neo4j used by a number of projects
Language:Shell10
stephwills/A71EV2A_compound_order_2
00
stephwills/A71EV2A_iteration1_cmpd_order
0 1 00
stephwills/A71EV2A_June
0 1 00
stephwills/CHIKV-compound-order-iteration-1
0 1 00
stephwills/Demo-removing-stringy-molecules
Language:Jupyter Notebook00
stephwills/elaboratability
Language:Python00
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.
Language:Python
stephwills/malhotra_subset
1 0
stephwills/PLANET
Language:Python0 0
stephwills/predictelab
Language:Python1 0
stephwills/PSG-BAR
This is the code for our paper Ligand Binding Prediction using Protein Structure Graphs and Residual Graph Attention Networks
Language:Jupyter Notebook0 0
stephwills/py3Dmol_demo
1 0