Pinned Repositories
ab-characterisation
abodybuilder3
low-sim-pdbbind
Code for paper "Improving generalisability of 3D binding affinity models in low data regimes"
MDRestraintsGenerator
Python code for generating Boresch restraints from MD simulations
molflux
A foundational package for molecular predictive modelling
oracle-json-field
A Django field that adds support for native json columns
physicsml
A package for all physics based/related models
plif_validity
Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"
rdvc
StableNetGuardOwl
Perform stability tests for Neural Network Potentials
Exscientia's Repositories
Exscientia/molflux
A foundational package for molecular predictive modelling
Exscientia/physicsml
A package for all physics based/related models
Exscientia/abodybuilder3
Exscientia/rdvc
Exscientia/plif_validity
Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"
Exscientia/low-sim-pdbbind
Code for paper "Improving generalisability of 3D binding affinity models in low data regimes"
Exscientia/StableNetGuardOwl
Perform stability tests for Neural Network Potentials
Exscientia/ab-characterisation
Exscientia/oracle-json-field
A Django field that adds support for native json columns
Exscientia/biosimspace
An interoperable Python framework for biomolecular simulation.
Exscientia/MDRestraintsGenerator
Python code for generating Boresch restraints from MD simulations
Exscientia/rdvc-demo-project
Exscientia/aws-private-typhoon
Customised Typhoon (Minimal and free K8S distribution) with slight optimisations for running on AWS privately.
Exscientia/particle_swarm_ftsa
Exscientia/RBFEBenchmark