jaumebonet / RosettaSilentToolbox

Related projects: ⓘ

• moldyn / Clustering
  Robust and stable clustering of molecular dynamics simulation trajectories.
  ☆16Updated 2 years ago
• LBLQMM / MACAW
  ☆14Updated 2 years ago
• DrugBud-Suite / DockM8
  All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
  ☆29Updated this week
• BioinfoMachineLearning / GCPNet
  A PyTorch implementation of Geometry-Complete SE(3)-Equivariant Perceptron Networks (GCPNets)
  ☆39Updated 4 months ago
• Degiacomi-Lab / JabberDock
  protein docking using a density-based descriptor for atoms charge and dynamics
  ☆14Updated last year
• RUBi-ZA / MODE-TASK
  PCA and normal mode analysis of proteins
  ☆15Updated 4 months ago
• Bitbol-Lab / DiffPALM
  Differentiable Pairing using Alignment-based Language Models
  ☆17Updated 8 months ago
• ram-compbio / CANDO
  Computational Analysis of Novel Drug Opportunities
  ☆35Updated last month
• julie-forman-kay-lab / IDPConformerGenerator
  Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space
  ☆19Updated 3 months ago
• pstansfeld / MemProtMD
  ☆31Updated last month
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆19Updated 3 years ago
• ljmartin / dockviz
  docking visualization with py3dmol and streamlit
  ☆23Updated 3 years ago
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆22Updated 6 months ago
• xuhuihuang / featuredock
  FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer
  ☆21Updated last month
• MDAnalysis / MDAnalysisData
  Access to data for workshops and extended tests of MDAnalysis.
  ☆14Updated 2 months ago
• lightdock / lightdock-python2.7
  Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
  ☆26Updated 4 years ago
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆23Updated this week
• pepamengual / UEP
  ☆9Updated last year
• MolecularAI / route-distances
  Tools and routines to calculate distances between synthesis routes and to cluster them.
  ☆20Updated last month
• Degiacomi-Lab / biobox
  a toolbox for the manipulation, modelling and analysis of molecular structures
  ☆23Updated 4 months ago
• MooersLab / EasyPyMOL
  Script to facilitate the making of horizontal scripts
  ☆15Updated 3 months ago
• ur-whitelab / peptide-dashboard
  Web cards/apps describing peptides
  ☆23Updated last year
• KULL-Centre / FRETpredict
  Software for the prediction of FRET data from conformational ensembles.
  ☆22Updated 2 weeks ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆26Updated 7 months ago
• Pranavkhade / PACKMAN
  PACKMAN: PACKing and Motion ANalysis
  ☆33Updated 2 months ago
• haddocking / arctic3d
  Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
  ☆26Updated 2 weeks ago
• ratthachat / awesome-biochem-ai
  Curated list on Deep Transformers Applications on Biology and Chemistry
  ☆17Updated last year
• sokrypton / tf_proteins
  some tools for working with protein (PDB) files in tensorflow
  ☆11Updated 5 years ago
• shiwentao00 / Pocket2Drug
  Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.
  ☆20Updated 2 years ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆22Updated 5 months ago