35 results found Sort:

BradyAJohnston
MolecularNodes BradyAJohnston
89
928
gpl-3.0
19
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
pdb sciart blender protein molecule proteins molecular biochemistry blender-addon visualisation geometry-nodes protein-data-bank protein-structure molecular-dynamics molecular-graphics molecular-modeling structural-biology protein-visualization
Created 2022-04-25
1,764 commits to main branch, last one a day ago
aqlaboratory
proteinnet aqlaboratory
132
873
mit
54
Standardized data set for machine learning of protein structure
dataset proteins deep-learning machine-learning protein-sequence protein-structure
Created 2018-03-10
192 commits to master branch, last one 4 years ago
microsoft
foldingdiff microsoft
59
522
mit
20
Diffusion models of protein structure; trigonometry and attention are all you need!
protein proteins diffusion transformer diffusion-models protein-structure-generation
Created 2022-06-30
979 commits to main branch, last one about a year ago
HannesStark
EquiBind HannesStark
109
484
mit
8
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
geometry proteins molecules equivariance drug-discovery protein-structure graph-neural-networks
Created 2021-10-26
36 commits to main branch, last one 2 years ago
williamgilpin
pypdb williamgilpin
75
316
mit
20
A Python API for the RCSB Protein Data Bank (PDB)
pdb blast proteins proteomics protein-data-bank protein-sequences protein-structure
Created 2015-05-13
181 commits to master branch, last one 4 months ago
rdk
p2rank rdk
34
259
mit
9
P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
pdb java mmcif pymol groovy ligand p2rank docking chimerax proteins binding-sites bioinformatics drug-discovery machine-learning protein-structure virtual-screening molecular-structures protein-ligand-docking structural-bioinformatics protein-ligand-interactions
Created 2016-09-25
1,700 commits to develop branch, last one 2 days ago
octavian-ganea
equidock_public octavian-ganea
58
234
mit
8
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
docking geometry proteins deeplearning equivariance drugdiscovery drug-discovery graphneuralnetwork equivariant-network equivariant-representations protein-protein-interaction
Created 2022-02-04
20 commits to main branch, last one 2 years ago
Acellera
moleculekit Acellera
37
206
other
12
MoleculeKit: Your favorite molecule manipulation kit
molecule proteins drug-discovery machine-learning molecular-modeling molecular-simulation
Created 2019-03-28
983 commits to main branch, last one 2 days ago
biolib
openprotein biolib
55
182
mit
10
A PyTorch framework for prediction of tertiary protein structure
proteins protein-structure
Created 2018-09-08
163 commits to master branch, last one 4 years ago
PDB-REDO
dssp PDB-REDO
19
174
bsd-2-clause
6
Application to assign secondary structure to proteins
pdb dssp proteins
Created 2020-09-22
307 commits to trunk branch, last one 2 months ago
soedinglab
plass soedinglab
14
151
gpl-3.0
10
sensitive and precise assembly of short sequencing reads
proteins opensource proteomics metagenomics bioinformatics sequence-assembler metatranscriptomics
Created 2018-01-19
3,798 commits to master branch, last one 2 months ago
saezlab
OmnipathR saezlab
20
119
other
10
R client for the OmniPath web service
networks omnipath pathways proteins complexes enzyme-ptm networks-biology
Created 2018-11-09
1,588 commits to master branch, last one about a month ago
haddocking
haddock3 haddocking
40
119
apache-2.0
15
Official repo of the modular BioExcel version of HADDOCK
docking proteins complexes modelling workflows bioinformatics utrecht-university integrative-modeling
Created 2019-03-13
4,580 commits to main branch, last one 4 days ago
Genentech
equifold Genentech
17
118
apache-2.0
10
Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation
proteins machine-learning structural-biology structure-prediction
Created 2022-11-29
15 commits to main branch, last one about a year ago
chao1224
Geom3D chao1224
13
116
mit
2
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
3d drugs group biology physics crystals geometry material proteins symmetry chemistry molecules ai4science invariance equivariance 3d-structures
Created 2023-06-07
9 commits to main branch, last one about a year ago
lucidrains
progen lucidrains
17
111
mit
8
Implementation and replication of ProGen, Language Modeling for Protein Generation, in Jax
proteins deep-learning artificial-intelligence
Created 2021-06-09
90 commits to main branch, last one 3 years ago
BasedLabs
NoLabs BasedLabs
8
108
apache-2.0
4
Open source biolab
ai biolab folding proteins webserver bioinformatics protein-design synthetic-biology
Created 2023-05-27
805 commits to master branch, last one 11 days ago
virtualramblas
awesome-deep-learning-4-life-sciences virtualramblas
13
104
apache-2.0
6
A collection of resources for Deep Learning in Python for Life Sciences (with focus on biotech and pharma).
python biotech proteins molecules deeplearning drug-discovery cheminformatics pharmaceuticals drug-repurposing
Created 2022-06-24
128 commits to main branch, last one 3 days ago
samirelanduk
atomium samirelanduk
19
103
mit
6
Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)
biology proteins chemistry molecules structural-biology
Created 2016-05-04
1,301 commits to master branch, last one 2 years ago
anton-bushuiev
PPIRef anton-bushuiev
8
86
mit
4
Dataset and package for working with protein-protein interactions in 3D
datasets proteins machine-learning protein-protein-interaction
Created 2023-10-16
107 commits to main branch, last one 12 days ago
diegozea
MIToS.jl diegozea
18
75
other
2
A Julia package to analyze protein sequences, structures, and evolutionary information
pdb pfam sifts biology proteins coevolution conservation bioinformatics julia-language protein-evolution protein-structure mutual-information protein-sequence-analysis structural-bioinformatics multiple-sequence-alignment
Created 2015-06-18
943 commits to master branch, last one about a month ago
mims-harvard
PINNACLE mims-harvard
18
74
mit
3
Contextual AI models for single-cell protein biology
proteins contextual therapeutics context-aware graph-neural-networks geometric-deep-learning
Created 2023-07-10
96 commits to main branch, last one 2 months ago
BioinfoMachineLearning
DeepInteract BioinfoMachineLearning
11
63
gpl-3.0
2
A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)
docker proteins transformers deep-learning bioinformatics machine-learning graph-neural-networks geometric-deep-learning protein-protein-interactions
Created 2021-10-04
58 commits to main branch, last one 2 years ago
OpenProteinAI
PoET OpenProteinAI
3
53
mit
3
Inference code for PoET: A generative model of protein families as sequences-of-sequences
proteins deep-learning generative-model protein-sequences protein-engineering protein-language-model
Created 2023-10-28
8 commits to main branch, last one 8 months ago
psipred
psipred psipred
12
52
other
5
PSIPRED Protein Secondary Structure Predictor
proteins secondary-structure-prediction
Created 2015-11-03
16 commits to master branch, last one about a month ago
sigven
oncoEnrichR sigven
10
49
mit
6
Explore the cancer relevance of your gene list
cancer genesets proteins tcga-data co-expression crispr-target prioritization cancer-survival report-generator protein-complexes cancer-hallmark-evidence disease-gene-association high-throughput-screening tissue-enrichment-analysis pathway-enrichment-analysis protein-protein-interaction functional-enrichment-analysis
Created 2019-11-21
320 commits to main branch, last one 3 months ago
Genentech
walk-jump Genentech
8
49
apache-2.0
6
Official repository for discrete Walk-Jump Sampling (dWJS)
antibody proteins protein-design machine-learning protein-sequences
Created 2023-05-26
35 commits to main branch, last one about a year ago
BioinfoMachineLearning
DIPS-Plus BioinfoMachineLearning
8
48
gpl-3.0
1
The Enhanced Database of Interacting Protein Structures for Interface Prediction
datasets proteins deep-learning bioinformatics machine-learning
Created 2021-05-27
117 commits to main branch, last one about a year ago
vsomnath
holoprot vsomnath
8
47
mit
2
Multi-Scale Representation Learning on Proteins (NeurIPS 2021)
geometry proteins neurips-2021 machine-learning representation-learning
Created 2022-01-04
8 commits to main branch, last one about a year ago
anton-bushuiev
PPIformer anton-bushuiev
4
47
mit
5
Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
proteins protein-design machine-learning equivariant-representations protein-protein-interactions
Created 2023-10-05
27 commits to main branch, last one about a month ago