pepamengual / UEP

Related projects ⓘ

Alternatives and complementary repositories for UEP

• CSB-KaracaLab / prot-on
  This repo contains the collection of codes to find designer interfacial mutations
  ☆16Updated last year
• ykurumida / ab-predictor
  test
  ☆13Updated 4 years ago
• ohuelab / MEGADOCK-on-Colab
  MEGADOCK on Google Colaboratory
  ☆14Updated last year
• tommyhuangthu / EvoEF2
  a fast and accurate physical energy function extended from EvoEF for protein sequence design
  ☆25Updated last year
• volkamerlab / kissim_app
  Kinome-wide structural pocket similarity
  ☆10Updated last year
• YoshidomeGroup-Hydration / gr-predictor
  ☆13Updated last year
• JingHuangLab / EViS
  EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity
  ☆13Updated 2 years ago
• kamerlinlab / KIN
  Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…
  ☆12Updated last year
• Hoecker-Lab / protlego
  Automated construction of protein chimeras and their analysis.
  ☆15Updated last year
• genki-kudo / Pocket-to-Concavity
  Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres
  ☆12Updated last month
• maltesie / bridge2
  GUI for interactive graph-based analyses of hydrogen bond networks in crystal structures and MD trajectories.
  ☆9Updated last year
• dkoes / show_contacts
  PyMOL Plugin for displaying polar contacts
  ☆16Updated 5 years ago
• matteoferla / pyrosetta-help
  Some scripts that I keep using over and over.
  ☆18Updated 8 months ago
• LPDI-EPFL / FunFolDesData
  Rosetta FunFolDes – a general framework for the computational design of functional proteins.
  ☆18Updated 5 years ago
• djmaity / md-davis
  MD DaVis: A python package to analyze molecular dynamics trajectories of proteins
  ☆14Updated 7 months ago
• Degiacomi-Lab / biobox
  a toolbox for the manipulation, modelling and analysis of molecular structures
  ☆24Updated 3 weeks ago
• Nucleus2014 / protease-gcnn-pytorch
  ☆20Updated last year
• jaaamessszzz / BindingSitesFromFragments
  De novo design of small molecule binding sites into proteins
  ☆13Updated 3 years ago
• keisuke-yanagisawa / exprorer_msmd
  MSMD (mixed-solvent molecular dynamics) engine and analysis tools
  ☆17Updated last month
• 3BioCompBio / pyScoMotif
  Python tool for the discovery of similar 3D structural motifs across protein structures.
  ☆25Updated last year
• ELELAB / pyinteraph2
  development repository for PyInteraph2
  ☆21Updated last year
• Andre-lab / evodock
  A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking
  ☆24Updated 7 months ago
• bigginlab / WaterDock-2.0
  WaterDock-2.0 implementation with Akshay Sridhar
  ☆15Updated last year
• Brian-hongyan / DeepCoSI
  DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
  ☆11Updated last year
• BrooksResearchGroup-UM / FASTDock
  FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook
  ☆19Updated last year
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆38Updated last year
• NRGlab / Surfaces
  ☆11Updated 5 months ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆19Updated 3 years ago
• oxpig / MolSnapper
  ☆22Updated last week
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆24Updated last month