Alternatives and similar repositories for ProS-GNN:

Users that are interested in ProS-GNN are comparing it to the libraries listed below

• cieplinski-tobiasz / smina-docking-benchmark
  ☆71Updated 2 years ago
• shuyana / DiffusionProteinLigand
  ☆79Updated last year
• Graylab / DFMDock
  DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.
  ☆43Updated 2 weeks ago
• SeonghwanSeo / BBAR
  Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
  ☆30Updated 2 weeks ago
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆61Updated 3 weeks ago
• Profluent-Internships / MMDiff
  Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion
  ☆56Updated 10 months ago
• BioinfoMachineLearning / DIPS-Plus
  The Enhanced Database of Interacting Protein Structures for Interface Prediction
  ☆48Updated last year
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆46Updated 2 months ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆27Updated last year
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆37Updated last year
• rdk / p2rank-datasets
  Datasets for P2Rank project. https://github.com/rdk/p2rank
  ☆19Updated 4 months ago
• sab148 / MiSaTo-dataset
  ☆29Updated last year
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆40Updated last year
• ELELAB / RosettaDDGPrediction
  ☆63Updated last month
• sokrypton / af2bind
  ☆49Updated last week
• Kuhlman-Lab / PIPPack
  Implementation of Protein Invariant Point Packer (PIPPack)
  ☆33Updated 10 months ago
• rxn4chemistry / biocatalysis-model
  RXN for biochemical reactions
  ☆67Updated 2 years ago
• mjendrusch / salad
  protein structure generation with sparse all-atom denoising models
  ☆29Updated last month
• rish-16 / rna-backbone-design
  Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design
  ☆46Updated last month
• DeepGraphLearning / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆22Updated 3 years ago
• zaixizhang / FAIR
  NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement
  ☆46Updated last year
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆86Updated last year
• drorlab / DIPS
  Database of Interacting Protein Structures (DIPS)
  ☆98Updated last year
• sokrypton / af_backprop
  ☆36Updated 5 months ago
• clami66 / dgram2dmap
  Converts AlphaFold distograms into distance matrices and saves them into a number of formats
  ☆11Updated 2 years ago
• karagol-taner / Molecular-Dynamics-on-AWS-and-Cloud-Computing
  Molecular Dynamics on Google Compute Engine, Colab, AWS (Amazon Web Services) and other Cloud Computing services
  ☆16Updated 3 months ago
• carbonsilicon-ai / CarsiDock
  Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…
  ☆82Updated 7 months ago
• Genentech / ringer
  RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion
  ☆16Updated 7 months ago
• WillHua127 / EnzymeFlow
  Official repository of EnzymeFlow
  ☆82Updated 3 months ago