Alternatives and similar repositories for plip

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

• openmm / pdbfixer
  PDBFixer fixes problems in PDB files
  ☆617Updated 3 months ago
• Discngine / fpocket
  fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…
  ☆440Updated last year
• gnina / gnina
  A deep learning framework for molecular docking
  ☆843Updated last month
• Pymol-Scripts / Pymol-script-repo
  Collected scripts for Pymol
  ☆509Updated 6 months ago
• pablo-arantes / making-it-rain
  Cloud-based molecular simulations for everyone
  ☆470Updated 3 weeks ago
• rdk / p2rank
  P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
  ☆386Updated this week
• chemosim-lab / ProLIF
  Interaction Fingerprints for protein-ligand complexes and more
  ☆473Updated last week
• Valdes-Tresanco-MS / gmx_MMPBSA
  gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
  ☆292Updated 2 months ago
• MolecularAI / REINVENT4
  AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
  ☆676Updated 2 weeks ago
• chembl / chembl_webresource_client
  Official Python client for accessing ChEMBL API
  ☆433Updated last year
• ccsb-scripps / AutoDock-Vina
  AutoDock Vina
  ☆909Updated last month
• jensengroup / propka
  PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
  ☆333Updated 2 weeks ago
• baker-laboratory / rf_diffusion_all_atom
  Public RFDiffusionAA repo
  ☆463Updated last year
• volkamerlab / teachopencadd
  TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
  ☆959Updated this week
• RosettaCommons / PyRosetta.notebooks
  Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
  ☆654Updated last year
• AngelRuizMoreno / Jupyter_Dock
  Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…
  ☆275Updated 2 years ago
• ccsb-scripps / AutoDock-GPU
  AutoDock for GPUs and other accelerators
  ☆559Updated last month
• haddocking / pdb-tools
  A dependency-free cross-platform swiss army knife for PDB files.
  ☆440Updated last week
• forlilab / Meeko
  Interface for AutoDock, molecule parameterization
  ☆335Updated last week
• lightdock / lightdock
  Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
  ☆378Updated 4 months ago
• dauparas / LigandMPNN
  ☆533Updated last year
• rdkit / rdkit-tutorials
  Tutorials to learn how to work with the RDKit
  ☆304Updated 2 years ago
• MolecularAI / Reinvent
  ☆367Updated 8 months ago
• LPDI-EPFL / masif
  MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
  ☆728Updated last year
• wallnerlab / DockQ
  DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models
  ☆360Updated 3 months ago
• RosettaCommons / rosetta
  The Rosetta Bio-macromolecule modeling package.
  ☆378Updated this week
• prody / ProDy
  A Python Package for Protein Dynamics Analysis
  ☆526Updated last week
• zrqiao / NeuralPLexer
  NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
  ☆322Updated 4 months ago
• ChatMol / ChatMol
  ChatMol
  ☆243Updated 2 months ago
• nrbennet / dl_binder_design
  ☆386Updated last year