To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released
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Oct 29, 2022 - Python
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protein-folding
Here are 46 public repositories matching this topic...
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
machine-learning ddi deeplearning representation-learning ppi rna-structure-prediction protein-design dti protein-folding protein-structure-prediction biocomputing self-supervised-learning graph-networks protein-docking molecule-design
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Aug 21, 2025 - Python
Optimizing AlphaFold Training and Inference on GPU Clusters
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Jul 16, 2024 - Python
Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding
deep-learning transformers artificial-intelligence molecules protein-folding attention-mechanisms equivariance
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Dec 17, 2024 - Python
Implementation of Invariant Point Attention, used for coordinate refinement in the structure module of Alphafold2, as a standalone Pytorch module
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Nov 25, 2022 - Python
IntelliFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction.
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Jul 16, 2025 - Python
Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design
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Aug 27, 2021 - Python
🧬 ManyFold: An efficient and flexible library for training and validating protein folding models
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Dec 14, 2022 - Python
Implementation of the Triangle Multiplicative module, used in Alphafold2 as an efficient way to mix rows or columns of a 2d feature map, as a standalone package for Pytorch
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Aug 3, 2021 - Python
Deep learning for protein science
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Jun 2, 2024 - Python
Singularity recipe for AlphaFold
hpc containers slurm singularity high-performance-computing containerization protein-folding alphafold apptainer
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Nov 12, 2024 - Python
Infrastructure template and Jupyter notebooks for running RoseTTAFold on AWS Batch.
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Feb 24, 2022 - Python
Python package for generating Markov state models
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Jul 27, 2022 - Python
The largest open-source dataset for Protein Single Sequence Secondary Structure prediction.
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Dec 29, 2024 - Python
Your open-source alternative to AlphaFold3🚀
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Jun 20, 2024 - Python
A package for protein conformational ensemble analyses based on a differential geometry representation of protein backbones.
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Jan 2, 2019 - Python
a package of Python modules and example scripts for experimenting with the two-dimensional HP lattice model of Dill and Chan.
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Feb 11, 2024 - Python
ProFOLD2 - A protein 3D structure prediction application
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Nov 8, 2025 - Python
MSAffect is a computational pipeline to evaluate the robustness of AlphaFold2 protein structure predictions under adversarial MSA perturbations to identify structural sensitivity and confidence shifts in neural-network-based folding.
computational-biology computational-chemistry msa perturbation multiple-sequence-alignment protein-folding alphafold perturbation-methods alphafold2 colabfold comp-bio multiple-sequence-alignments
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Sep 2, 2025 - Python
Implementation of the HP protein folding model with commands line interface
protein-structure pyhton protein-sequence hp-model protein-folding annealing protein-structure-prediction
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Oct 22, 2025 - Python
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