AspirinCode

ColabFold

Making Protein folding accessible to all!

PyxLSTM

Efficient Python library for Extended LSTM with exponential gating, memory mixing, and matrix memory for superior sequence modeling.

af2complex

Predicting direct protein-protein interactions with AlphaFold deep learning neural network models.

OAReactDiff

An object-aware diffusion model for generating chemical reactions

FlowMol

Mixed continous/categorical flow-matching model for de novo molecule generation.

EternaFold

Improving RNA structure prediction through multitask learning on diverse crowdsourced data.

acegen-open

Language models for drug discovery using torchrl

AFM-LIS

Local Interaction Score (LIS) Calculation from AlphaFold-Multimer (Enhanced Protein-Protein Interaction Discovery via AlphaFold-Multimer)

pdb-images

Generates images from mmCIF/BCIF files

AFsample2

Modelling protein conformational landscape with Alphafold

Graph2Edits

spmm

Multimodal learning for chemical domain, with SMILES and properties.

ProtLGN

gtalign_alpha

GTalign, HPC protein structure alignment, superposition and search (alpha release)

alphafold-peptide-receptors

Identifying peptide-receptor interactions using AlphaFold-Multimer

ntEmbd

Deep learning embedding for nucleotide sequences

awesome-BioMolFold

RNA, mRNA, DNA, Peptide, Protein, Antibody and Complex | Folding

Computational-Biology-Books

"One general law, leading to the advancement of all organic beings, namely, multiply, vary, let the strongest live and the weakest die." ― Charles Darwin

dgram2dmap

Converts AlphaFold distograms into distance matrices and saves them into a number of formats

ChiENN

AlphaTraj

Pocket dynamics analysis tool

altmol

Plugin to show molecule images on mouseover using RDKit and Altair

2024-sbdd-benchmark

AlphaFold3_Result_Visualize

A convinent tool to visualize AlphaFold 3 prediction results with PyMOL and matplotlib

LLM_classifier

sbdd_practical_evaluation

From Theory to Therapy: Reframing SBDD Model Evaluation via Practical Metrics

open_source_deep_docking_protocol

Open Source Deep Docking protocol (optimized)

patent-clinical-candidate-characteristics

Source code and data repository for paper titled "Exploring SureChEMBL from a drug discovery perspective".

2024-02-PK-parameters-visualized

postresql-rdkit-build

memo for building cartridge