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Ai For Science

8 projects

Showing 8 of 8 projects

Evolutionary Scale Modeling (ESM)
Evolutionary Scale Modeling (ESM)Python

A collection of transformer protein language models for predicting structure, function, and designing proteins from sequences.

#transformer#metagenomics#protein-structure-prediction
Stars4.1k
Forks796
Last commit2 years ago
Boltz-1
Boltz-1Python

A family of open-source deep learning models for accurate biomolecular interaction and binding affinity prediction, rivaling AlphaFold3 and physics-based methods.

#binding prediction#binding-affinity#protein-structure
Stars4.0k
Forks842
Last commit14 days ago
DiffDock
DiffDockPython

A state-of-the-art diffusion model for predicting how small molecules (ligands) bind to proteins.

#molecular-docking#diffusion-models#computational-biology
Stars1.5k
Forks352
Last commit1 year ago
EvoDiff
EvoDiffPython

A diffusion framework for controllable protein sequence and evolutionary alignment generation using discrete diffusion models.

#multiple-sequence-alignment#diffusion-models#sequence-generation
Stars670
Forks108
Last commit4 months ago
OmegaFold
OmegaFoldPython

High-resolution de novo protein structure prediction from amino acid sequences using deep learning.

#deep-learning#protein-structure-prediction#computational-biology
Stars623
Forks90
Last commit3 years ago
TargetDiff
TargetDiffPython

Official implementation of a 3D equivariant diffusion model for generating drug-like molecules that bind to specific protein targets and predicting their binding affinity.

#binding-affinity#protein-ligand-docking#diffusion-models
Stars341
Forks53
Last commit2 years ago
GeneCompass
GeneCompassJupyter Notebook

A knowledge-informed cross-species foundation model pre-trained on over 120 million human and mouse single-cell transcriptomes to decipher universal gene regulatory mechanisms.

#cell-type-annotation#cross-species-analysis#deep-learning
Stars118
Forks22
Last commit4 months ago
MAPS
MAPSJupyter Notebook

A machine learning approach for rapid, pathologist-level cell type annotation from spatial proteomics data like MIBI and CODEX.

#cell-type-annotation#computational-pathology#codex
Stars67
Forks10
Last commit2 years ago

Related Tags

#Computational Biology6#Bioinformatics6#Machine Learning5#Pytorch4#Diffusion Models3#Deep Learning3#Protein Structure Prediction3#Drug Discovery3
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