Alternatives and similar repositories for ermsfkit

Users that are interested in ermsfkit are comparing it to the libraries listed below

• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆37Updated 10 months ago
• KexinZhangResearch / PhysDock
  Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction
  ☆87Updated 3 months ago
• polizzilab / NISE
  Neural Iterative Selection-Expansion using LigandMPNN/LASErMPNN and Boltz-2x
  ☆29Updated last week
• iriziotis / Uniprot-PDB-mapper
  Quick mapping of Uniprot sequences to PDB structures
  ☆36Updated 9 months ago
• polizzilab / LASErMPNN
  All-Atom (Including Hydrogen!) Ligand-Conditioned Protein Sequence Design & Sidechain Packing GNN
  ☆27Updated 2 weeks ago
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆46Updated 2 months ago
• molecularmodelingsection / TTMD
  Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations
  ☆20Updated last year
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆31Updated last week
• ale94mleon / BindFlow
  A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS
  ☆142Updated last week
• MolecularAI / PepINVENT
  ☆59Updated last week
• wallnerlab / AFsample2
  Modelling protein conformational landscape with Alphafold
  ☆54Updated 5 months ago
• ohuelab / boltzina
  Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2
  ☆76Updated last month
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆60Updated 2 months ago
• yehlincho / Joint_Model_Stability
  ☆17Updated last month
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆86Updated last week
• BIMSBbioinfo / PocketVina
  GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…
  ☆68Updated 2 months ago
• darrenjhsu / tiny_IFD
  Lightweight induced fit docking
  ☆21Updated 2 years ago
• regeneron-mpds / propermab
  ☆43Updated 9 months ago
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆53Updated 3 months ago
• bunzela / AIzymes
  ☆65Updated 3 months ago
• gfzhou / OpenVS
  Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"
  ☆65Updated last year
• ohuelab / ColabDesign-cyclic-binder
  ☆37Updated 2 years ago
• THGLab / HiQBind
  Workflow to clean up and fix structural problems in protein-ligand binding datasets
  ☆68Updated 2 months ago
• graeter-group / backflip
  Fast protein backbone flexibility prediction model
  ☆34Updated 3 weeks ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆36Updated 3 weeks ago
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆46Updated 7 months ago
• schwallergroup / DynaMate
  ☆55Updated last week
• AstraZeneca / peptide-tools
  Collection of tools to calculate properties of natural or synthetic peptides and proteins.
  ☆54Updated last month
• Ryan-Hu-Hu-Hu / GRACE
  GRACE: Generative Renaissance in Artificial Computational Enzyme Design
  ☆19Updated last year
• brueckna2020 / MDFit
  Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics
  ☆19Updated last year