Alternatives and similar repositories for chemcore

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

• rdkit-rs / rdkit
  RDKit Made Idiomatic for Rust
  ☆24Updated 10 months ago
• douweschulte / pdbtbx
  A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
  ☆62Updated last month
• yesint / molar
  Repository for molar crate and its dependencies
  ☆36Updated this week
• rdkit-rs / rdkit-sys
  Rust crate for linking against the RDKit C++ API
  ☆21Updated last year
• lightdock / lightdock-rust
  A Rust implementation of the LightDock macromolecular docking software
  ☆29Updated last year
• metamolecular / balsa
  Reference implementation for the Balsa molecular line notation.
  ☆17Updated last year
• willfinnigan / RetroBioCat
  ☆26Updated 2 years ago
• maxall41 / RustSASA
  A Rust library for calculating the SASA/ASA for each atom in a protein. Based on the Shrake & Rupley algorithm.
  ☆13Updated last week
• chrissly31415 / rdkitcffi
  Rust wrapper for the RDKit using CFFI
  ☆16Updated last week
• molstar / VSCoding-Sequence
  VSCode Extension for interactively visualising protein structure data in the editor
  ☆110Updated 10 months ago
• whitead / molcloud
  Make a bunch of molecules
  ☆96Updated 10 months ago
• whitead / molbloom
  Molecular bloom filter tool
  ☆125Updated last month
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆73Updated last year
• rcsb / py-mmcif
  mmCIF Core Access Library
  ☆48Updated last week
• rapodaca / purr
  Primitives for reading and writing the SMILES language in Rust.
  ☆26Updated 3 years ago
• rapodaca / dialect
  Documenting a subset of the SMILES language.
  ☆13Updated 3 years ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆86Updated this week
• avirshup / py3dmol
  ☆128Updated 9 years ago
• microsoft / molskill
  Extracting medicinal chemistry intuition via preference machine learning
  ☆112Updated last year
• OpenBioSim / biosimspace
  An interoperable Python framework for biomolecular simulation.
  ☆127Updated this week
• molstar / BinaryCIF
  BinaryCIF is a data format for storing text based CIF files using a more efficient binary encoding.
  ☆26Updated last year
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆117Updated 2 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…
  ☆68Updated last month
• bigginlab / OxCompBio
  Materials for the oxford computational biochemistry course including python
  ☆48Updated 2 years ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆153Updated last month
• AstexUK / ESP_DNN
  A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
  ☆91Updated 2 years ago
• MolQL / molql
  Molecular Query Language
  ☆34Updated last year
• PDBeurope / pdbecif
  A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"
  ☆38Updated last year
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆76Updated last year
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆102Updated 5 months ago