Oxford Protein Informatics Group's repositories
ImmuneBuilder
Predict the structure of immune receptor proteins
dlab-public
Code for the paper "DLAB - Deep learning methods for structure-basedvirtual screening of antibodies"
Graphinity
Graphinity: Equivariant Graph Neural Network Architecture for Predicting Change in Antibody-Antigen Binding Affinity
Fragmenstein
Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
fragment_network_merges
Fragment merging using a graph database
OAS-CanonicalForms
Code to perform clustering of antibody CDRs from predicted structures of sequences from the Observed Antibody Space.
hummus
Code associated with generating figures from Richardson & Binter et al, 2022.
molecular_rectifier
Given an RDKit molecule that does not sanitise, correct it until it does
Python_SmallWorld_API
An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
rdkit_to_params
Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
sdAbs_vs_Abs
A comparison of the binding sites of antibodies and single-domain antibodies
Tz_her2_affinity_and_beyond
Design and refine high affinity antibody libraries