Alternatives and similar repositories for molar

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

• lightdock / lightdock-rust
  A Rust implementation of the LightDock macromolecular docking software
  ☆29Updated last year
• rdkit-rs / rdkit
  RDKit Made Idiomatic for Rust
  ☆24Updated last year
• maxall41 / RustSASA
  A Rust library for calculating the SASA for a protein. 5x faster than Freesasa. Based on the Shrake & Rupley algorithm.
  ☆17Updated this week
• PDBeurope / pdbecif
  A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"
  ☆38Updated 2 years ago
• rapodaca / chemcore
  A cheminformatics toolkit for Rust.
  ☆77Updated 4 years ago
• rdkit-rs / rdkit-sys
  Rust crate for linking against the RDKit C++ API
  ☆21Updated 2 years ago
• rareylab / RingDecomposerLib
  Open Source Implementation of the Unique Ring Families Algorithm (Cheminformatics)
  ☆18Updated last year
• osmoai / vexo
  Cheminformatics tools that work natively with Google tools such as Sheets and BigQuery
  ☆17Updated last year
• bigginlab / OxCompBio
  Materials for the oxford computational biochemistry course including python
  ☆50Updated 3 years ago
• PDBeurope / ccdutils
  A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…
  ☆74Updated 3 months ago
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆58Updated last year
• HITS-MBM / gromacs-fda
  Force Distribution Analysis (FDA) for GROMACS
  ☆35Updated last year
• willfinnigan / RetroBioCat
  ☆26Updated 2 years ago
• whitead / molcloud
  Make a bunch of molecules
  ☆97Updated last year
• OpenADMET / openadmet-models
  Machine learning workflows for the OpenADMET project
  ☆38Updated this week
• mqcomplab / bblean
  BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries
  ☆101Updated this week
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆118Updated last year
• log-md / logmd
  ☆67Updated 9 months ago
• greglandrum / aisem23
  Repository for the SCS Spring School on Digital Chemistry
  ☆21Updated 2 years ago
• molstar / BinaryCIF
  BinaryCIF is a data format for storing text based CIF files using a more efficient binary encoding.
  ☆29Updated last year
• dehaenw / ECFPinvert
  Algorithmic inversion of extended connectivity fingerprints (ECFP)
  ☆24Updated last year
• aivant / peppr
  It's a package for evaluation of predicted poses, right?
  ☆73Updated 2 weeks ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆93Updated last month
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆62Updated 3 years ago
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆77Updated 2 years ago
• dahvida / NP_Fingerprints
  Scripts to calculate fingerprints and simiilarity matrices for natural product databases.
  ☆22Updated last year
• Psivant / stormm
  STORMM: Structure and TOpology Replica Molecular Mechanics
  ☆82Updated 4 months ago
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆74Updated last month
• douweschulte / pdbtbx
  A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
  ☆67Updated 5 months ago
• pritampanda15 / PandaMap
  Ligand-Protein Interaction Mapping
  ☆72Updated 9 months ago