11 results found Sort:

lucidrains
alphafold2 lucidrains
255
1.5k
mit
66
To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released
deep-learning protein-folding attention-mechanism artificial-intelligence
Created 2020-12-01
538 commits to main branch, last one about a year ago
PaddlePaddle
PaddleHelix PaddlePaddle
189
800
apache-2.0
25
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
ddi dti ppi biocomputing deeplearning graph-networks protein-design molecule-design protein-docking protein-folding machine-learning representation-learning rna-structure-prediction self-supervised-learning protein-structure-prediction
Created 2020-11-21
813 commits to dev branch, last one about a month ago
hpcaitech
FastFold hpcaitech
83
553
apache-2.0
17
Optimizing AlphaFold Training and Inference on GPU Clusters
gpu cuda pytorch evoformer alphafold2 parallelism habana-gaudi protein-folding protein-structure
Created 2022-02-27
103 commits to main branch, last one 11 months ago
RosettaCommons
PyRosetta.notebooks RosettaCommons
143
444
mit
335
Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
dna rosetta pyrosetta google-colab protein-design protein-docking protein-folding jupyter-notebook rna-structure-prediction protein-structure-prediction
Created 2019-05-24
591 commits to master branch, last one 4 months ago
lucidrains
equiformer-pytorch lucidrains
22
230
mit
14
Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding
molecules equivariance transformers deep-learning protein-folding attention-mechanisms artificial-intelligence
Created 2022-10-29
167 commits to main branch, last one 5 months ago
lucidrains
invariant-point-attention lucidrains
9
143
mit
5
Implementation of Invariant Point Attention, used for coordinate refinement in the structure module of Alphafold2, as a standalone Pytorch module
deep-learning protein-folding artificial-intelligence
Created 2021-07-16
41 commits to main branch, last one about a year ago
lucidrains
tr-rosetta-pytorch lucidrains
9
79
mit
4
Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design
deep-learning protein-design protein-folding artificial-intelligence
Created 2021-02-04
22 commits to main branch, last one 2 years ago
instadeepai
manyfold instadeepai
9
73
other
15
🧬 ManyFold: An efficient and flexible library for training and validating protein folding models
jax python research deep-learning bioinformatics protein-folding protein-structure
Created 2022-08-31
5 commits to master branch, last one about a year ago
instadeepai
FrameDiPT instadeepai
4
47
other
5
FrameDiPT: an SE(3) diffusion model for protein structure inpainting
tcr alphafold2 inpainting loop-design protein-folding diffusion-models generative-model protein-structure
Created 2023-11-24
4 commits to main branch, last one 5 months ago
nf-core
proteinfold nf-core
29
42
mit
158
Protein 3D structure prediction pipeline
nf-core nextflow pipeline workflow alphafold2 protein-folding protein-sequences protein-structure protein-fold-prediction
Created 2022-03-03
759 commits to master branch, last one 3 days ago
torchmd
torchmd-cg torchmd
11
40
mit
8
Example to fit parameters and run CG simulations using TorchMD and Schnet
pytorch protein-folding machine-learning coarse-grained-molecular-dynamics
Created 2020-09-23
61 commits to master branch, last one 3 years ago