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 9 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 last week
• rdkit-rs / rdkit-sys
  Rust crate for linking against the RDKit C++ API
  ☆21Updated last year
• willfinnigan / RetroBioCat
  ☆25Updated 2 years ago
• molstar / VSCoding-Sequence
  VSCode Extension for interactively visualising protein structure data in the editor
  ☆110Updated 9 months ago
• whitead / molcloud
  Make a bunch of molecules
  ☆96Updated 10 months ago
• 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
• rapodaca / purr
  Primitives for reading and writing the SMILES language in Rust.
  ☆25Updated 3 years ago
• whitead / molbloom
  Molecular bloom filter tool
  ☆123Updated last month
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆72Updated last year
• rcsb / py-mmcif
  mmCIF Core Access Library
  ☆47Updated last week
• avirshup / py3dmol
  ☆127Updated 9 years ago
• kuelumbus / rdkit-pypi
  ⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit
  ☆135Updated 2 weeks ago
• bigginlab / OxCompBio
  Materials for the oxford computational biochemistry course including python
  ☆48Updated 2 years ago
• choderalab / perses
  Experiments with expanded ensembles to explore chemical space
  ☆192Updated 7 months ago
• Acellera / moleculekit
  MoleculeKit: Your favorite molecule manipulation kit
  ☆227Updated 2 weeks ago
• rapodaca / dialect
  Documenting a subset of the SMILES language.
  ☆13Updated 3 years ago
• OpenBioSim / biosimspace
  An interoperable Python framework for biomolecular simulation.
  ☆121Updated this week
• microsoft / molskill
  Extracting medicinal chemistry intuition via preference machine learning
  ☆112Updated last year
• maxall41 / RustSASA
  A Rust library for calculating the SASA/ASA for each atom in a protein. Based on the Shrake & Rupley algorithm.
  ☆12Updated last week
• duerrsimon / substrate-scope-plot
  ☆55Updated 4 months ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆84Updated last week
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆80Updated last week
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆76Updated last year
• greglandrum / aisem23
  Repository for the SCS Spring School on Digital Chemistry
  ☆20Updated 2 years ago
• samirelanduk / atomium
  Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)
  ☆106Updated last year
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆61Updated 4 months ago
• reymond-group / tmap
  A very fast visualization library for large, high-dimensional data sets.
  ☆236Updated 9 months ago