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 101 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
Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
jupyter-notebook dna rosetta rna-structure-prediction protein-design protein-folding protein-structure-prediction google-colab pyrosetta protein-docking
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Feb 27, 2026 - Jupyter Notebook
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
IntelliFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction.
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Mar 15, 2026 - 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
Protein 3D structure prediction pipeline
workflow pipeline nextflow protein-structure protein-sequences protein-folding protein-fold-prediction nf-core alphafold2 colabfold esmfold
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Mar 23, 2026 - HTML
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
FrameDiPT: an SE(3) diffusion model for protein structure inpainting
protein-structure generative-model tcr inpainting protein-folding diffusion-models alphafold2 loop-design
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Jan 22, 2024 - Jupyter Notebook
Example to fit parameters and run CG simulations using TorchMD and Schnet
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Feb 4, 2022 - Jupyter Notebook
Step-by-step guide to install and configure AlphaFold 3 using a Conda Python 3.11 environment. No system-wide installations required. ✅ Miniconda setup & dependencies ✅ Repository cloning & model setup ✅ Database configuration & execution script 🔹 Requirements: Linux, NVIDIA GPU (Ampere+), CUDA, ~700GB disk space.
python bioinformatics structural-biology gpu-computing deepmind conda-environment protein-folding protein-structure-prediction alphafold3
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Dec 23, 2025 - Shell
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
An interactive visual simulator for distance-based protein folding
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Mar 1, 2021 - Java
Infrastructure template and Jupyter notebooks for running RoseTTAFold on AWS Batch.
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Feb 24, 2022 - Python
OPUS-Fold: An Open-Source Protein Folding Framework Based on Torsion-Angle Sampling
protein-secondary-structure protein-folding protein-scoring-functions protein-contact-map opus-fold protein-strucutre-prediction protein-side-chain-modeling protein-torsion-angles protein-potential-functions
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May 4, 2020
A curated list of FREE courses available online from top universities of the world on Computational Biology and Bioinformatics.
bioinformatics protein-structure computational-biology computational-chemistry computational-geometry drug-discovery drug-repurposing protein-sequences drug-design molecular-biology bioinformatics-analysis protein-protein-interaction protein-folding protein-structure-prediction molecular-docking
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Apr 15, 2024
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