Alternatives and similar repositories for coconut

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

• czodrowskilab / VSFlow
  ☆93Updated 6 months ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆52Updated 2 months ago
• pritampanda15 / PandaMap
  Ligand-Protein Interaction Mapping
  ☆60Updated 3 months ago
• tiwarylab / GrASP
  Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
  ☆53Updated 2 months ago
• guyuehuo / opendock
  ☆50Updated 8 months ago
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆69Updated this week
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆34Updated last month
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆72Updated 4 months ago
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆75Updated last year
• iriziotis / Uniprot-PDB-mapper
  Quick mapping of Uniprot sequences to PDB structures
  ☆33Updated 4 months ago
• vktrannguyen / MLSF-protocol
  ☆39Updated last year
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆37Updated last month
• AstraZeneca / peptide-tools
  Collection of tools to calculate properties of natural or synthetic peptides and proteins.
  ☆41Updated last month
• wells-wood-research / drMD
  Molecular Dynamics for Experimentalists
  ☆62Updated 2 weeks ago
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆41Updated last year
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated 3 months ago
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆57Updated 2 months ago
• KexinZhangResearch / PhysDock
  Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction
  ☆70Updated 3 weeks ago
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
  ☆27Updated last week
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆75Updated last year
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• ci-lab-cz / easydock
  Fully automated docking pipeline (can be run in distributed environments)
  ☆47Updated last week
• prokia / BioNavi-NP
  Biosynthesis Navigator for Natural Products
  ☆50Updated 3 years ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆51Updated 2 years ago
• ninglab / DiffSMol
  ☆35Updated last month
• PDBeurope / ccdutils
  A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…
  ☆65Updated 2 weeks ago
• viko-3 / TargetGAN
  ☆28Updated 2 years ago
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆34Updated 5 months ago
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆14Updated last year