Alternatives and similar repositories for plip:

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

• Discngine / fpocket
  fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…
  ☆330Updated 6 months ago
• 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.
  ☆247Updated last week
• rdk / p2rank
  P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
  ☆294Updated last week
• Pymol-Scripts / Pymol-script-repo
  Collected scripts for Pymol
  ☆464Updated last month
• openmm / pdbfixer
  PDBFixer fixes problems in PDB files
  ☆527Updated 2 weeks ago
• forlilab / Meeko
  Interface for AutoDock, molecule parameterization
  ☆230Updated this week
• chemosim-lab / ProLIF
  Interaction Fingerprints for protein-ligand complexes and more
  ☆396Updated last week
• jensengroup / propka
  PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
  ☆287Updated last year
• bjornwallner / DockQ
  DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models
  ☆261Updated 2 months ago
• MolecularAI / REINVENT4
  AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
  ☆438Updated last week
• AngelRuizMoreno / Jupyter_Dock
  Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…
  ☆266Updated last year
• nrbennet / dl_binder_design
  ☆293Updated 7 months ago
• RosettaCommons / RFDesign
  Protein hallucination and inpainting with RoseTTAFold
  ☆253Updated last year
• zrqiao / NeuralPLexer
  NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
  ☆282Updated 11 months ago
• baker-laboratory / rf_diffusion_all_atom
  Public RFDiffusionAA repo
  ☆373Updated 8 months ago
• rdkit / rdkit-tutorials
  Tutorials to learn how to work with the RDKit
  ☆282Updated 2 years ago
• pablo-arantes / making-it-rain
  Cloud-based molecular simulations for everyone
  ☆425Updated this week
• ccsb-scripps / AutoDock-Vina
  AutoDock Vina
  ☆685Updated 2 weeks ago
• lightdock / lightdock
  Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
  ☆326Updated 3 months ago
• RosettaCommons / protein_generator
  Joint sequence and structure generation with RoseTTAFold sequence space diffusion
  ☆304Updated 4 months ago
• MolecularAI / Reinvent
  ☆350Updated last year
• gnina / gnina
  A deep learning framework for molecular docking
  ☆679Updated 2 weeks ago
• martinpacesa / BindCraft
  User friendly and accurate binder design pipeline
  ☆467Updated last week
• RosettaCommons / PyRosetta.notebooks
  Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
  ☆549Updated 7 months ago
• ccsb-scripps / AutoDock-GPU
  AutoDock for GPUs and other accelerators
  ☆453Updated last month
• volkamerlab / teachopencadd
  TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
  ☆835Updated last week
• dockstring / dockstring
  A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discover…
  ☆167Updated 3 months ago
• dauparas / LigandMPNN
  ☆295Updated last month
• chembl / chembl_webresource_client
  Official Python client for accessing ChEMBL API
  ☆392Updated last month
• maabuu / posebusters
  Plausibility checks for generated molecule poses.
  ☆265Updated this week