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
  ☆73Updated 2 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• SeonghwanSeo / BBAR
  Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
  ☆33Updated 2 months ago
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆42Updated 2 years ago
• clami66 / dgram2dmap
  Converts AlphaFold distograms into distance matrices and saves them into a number of formats
  ☆12Updated 2 years ago
• sokrypton / af_backprop
  ☆36Updated 7 months ago
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆44Updated 4 months ago
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆26Updated last year
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆65Updated 3 months ago
• cgoliver / rnaglib
  Deep learning datasets for RNA 3D and 2.5D structures.
  ☆37Updated last week
• camlab-ethz / GEMS
  Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models
  ☆27Updated 2 weeks ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆87Updated 2 years ago
• rdk / p2rank-datasets
  Datasets for P2Rank project. https://github.com/rdk/p2rank
  ☆21Updated 6 months ago
• BioinfoMachineLearning / DIPS-Plus
  The Enhanced Database of Interacting Protein Structures for Interface Prediction
  ☆49Updated last year
• lamm-mit / ProteinMechanicsDiffusionDesign
  ☆28Updated last year
• aqlaboratory / QuickBind
  A Light-Weight And Interpretable Molecular Docking Model
  ☆20Updated 7 months ago
• DeepGraphLearning / DiffPack
  Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing
  ☆87Updated last year
• tekpinar / correlationplus
  A Python package to calculate, visualize and analyze correlation maps of proteins.
  ☆41Updated 3 weeks ago
• shuyana / DiffusionProteinLigand
  ☆79Updated last year
• ACE-KAIST / PIGNet2
  ☆11Updated last year
• rxn4chemistry / biocatalysis-model
  RXN for biochemical reactions
  ☆68Updated 2 years ago
• ml-jku / MHNfs
  ☆21Updated last year
• Graylab / DFMDock
  DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.
  ☆44Updated 2 months ago
• huhlim / alphafold-multistate
  ☆40Updated last year
• latkins / trifast
  ☆24Updated last month
• ChatterjeeAyan / AI-Bind
  Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
  ☆29Updated last year
• PointSite / PointSite
  PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms
  ☆56Updated 2 years ago
• sab148 / MiSaTo-dataset
  ☆29Updated last year
• Profluent-Internships / MMDiff
  Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion
  ☆58Updated last year
• sokrypton / af2bind
  ☆50Updated 2 months ago