matthewtwarren Goto Github PK

aescore

Learning Protein-Ligand Affinity with Atomic Environment Vectors

cinnabar

Package for consistent reporting of relative free energy results

comp-bio-tools

A repository of scripts for data analysis and manipulation useful for Molecular Dynamics simulations of proteins.

dynaformer

fep-merck

Benchmark set for relative free energy calculations.

fep-schrodinger

gptchem

matthewtwarren.github.io

My personal website, built using Hugo and Congo and hosted via GitHub Pages.

neuralplexer

NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model

precice

Image analysis using OpenCV in python

rfdiffusion

Code for running RFdiffusion

sortspotify

Command-line tool for managing Spotify playlists, including filtering and sorting playlists by track tempo and key.

tablegeneration

Synthetic table generation for table recognition and cell classification models.