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HIPPOS Is PyPLIF On Steroids. A Molecular Interaction Fingerprinting Tool for Docking Results of Autodock Vina and PLANTS
Implementation of the paper "Denoising Diffusion Probabilistic Models" in PyTorch
Denoising Diffusion Probabilistic Models
A collection of resources and papers on Diffusion Models
Materials for the Hugging Face Diffusion Models Course
A Rust implementation of the LightDock macromolecular docking software
[NeurIPS 2024] MSA generative pretraining for advancing protein structure prediction
Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
Official repo of the modular BioExcel version of HADDOCK
This may be the simplest implement of DDPM. You can directly run Main.py to train the UNet on CIFAR-10 dataset and see the amazing process of denoising.
This repository is the official implementation of "Hyperbolic Geometric Latent Diffusion Model for Graph Generation (HypDiff)" accepted by the research tracks of International Conference on Machine…
Geometric Latent Diffusion Models for 3D Molecule Generation
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models
Facebook AI Research Sequence-to-Sequence Toolkit written in Python.
Fast AlphaFold-Multimer based pipeline for Protein-Protein Interaction (PPI) screening
HyPep is an open-source Python based algorithm designed for hybrid analysis of neuropeptide mass spectral data through sequence homology searching and accurate mass matching.
Official code of RTM-align: an improved RNA alignment tool with enhanced short sequence performance via post-standardization and fragment alignment.
MCScanX: Multiple Collinearity Scan toolkit X version. The most popular synteny analysis tool in the world!