cch1999
PhD at Unversity of Cambridge | AI for Drug Discovery | Previously BenevolentAI, Imperial College London
Univeristy of CambridgeLondon
cch1999's Stars
dmlc/dgl
Python package built to ease deep learning on graph, on top of existing DL frameworks.
fastai/lm-hackers
Hackers' Guide to Language Models
lucidrains/alphafold2
To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released
yangkky/Machine-learning-for-proteins
Listing of papers about machine learning for proteins.
a-r-j/graphein
Protein Graph Library
atong01/conditional-flow-matching
TorchCFM: a Conditional Flow Matching library
cloneofsimo/minDiffusion
Self-contained, minimalistic implementation of diffusion models with Pytorch.
awslabs/dgl-lifesci
Python package for graph neural networks in chemistry and biology
TeaPearce/Conditional_Diffusion_MNIST
Conditional diffusion model to generate MNIST. Minimal script. Based on 'Classifier-Free Diffusion Guidance'.
LPDI-EPFL/masif
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
pharmai/plip
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to đź“ť Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
Valdes-Tresanco-MS/AutoDockTools_py3
Python3 translation of AutoDockTools
martius-lab/hitchhiking-rotations
Learning with 3D rotations, a hitchhiker’s guide to SO(3) - ICML 2024
HannesStark/FlowSite
Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding Site Design"
cch1999/posecheck
Pose checks for 3D Structure-based Drug Design methods
Dunni3/FlowMol
Mixed continous/categorical flow-matching model for de novo molecule generation.
Exscientia/physicsml
A package for all physics based/related models
epigen/KPNN
Knowledge-primed neural networks
sab148/MiSaTo-dataset
capoe/libpqr
Bias-controlled 3D generative framework for structure-based ligand design
mirunacrt/synflownet
A GFlowNet with a chemical synthesis action space.
rdnfn/autoplotlib
Quickly generate plots in Python by simply describing them through text - e.g. use "create a scatter plot with name labels" instead of endlessly searching stackoverflow.
ardagoreci/Chroma
Chroma Protein Diffusion Model
Croydon-Brixton/proteinmpnn_wrapper
A thin wrapper around ProteinMPNN for convenient sampling without having to write out or consume files