rdkit-rs / rdkit-sysLinks
Rust crate for linking against the RDKit C++ API
☆21Updated last year
Alternatives and similar repositories for rdkit-sys
Users that are interested in rdkit-sys are comparing it to the libraries listed below
Sorting:
- Rust wrapper for the RDKit using CFFI☆16Updated 3 weeks ago
- RDKit Made Idiomatic for Rust☆24Updated 8 months ago
- Repository for molar crate and its dependencies☆34Updated last week
- A cheminformatics toolkit for Rust.☆73Updated 4 years ago
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆18Updated 11 months ago
- A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.☆62Updated 2 weeks ago
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆84Updated last week
- LillyMol Public Code☆111Updated last year
- Molecular MHFP fingerprints for cheminformatics applications☆89Updated 2 years ago
- Materials from the 2016 RDKit UGM☆40Updated 8 years ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆90Updated 5 months ago
- ☆55Updated this week
- Materials from the 2023 RDKit UGM☆34Updated last year
- ☆55Updated 3 months ago
- A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces☆90Updated 2 years ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆45Updated 2 months ago
- A Rust implementation of the LightDock macromolecular docking software☆29Updated last year
- Kinase-focused fragment library☆65Updated last month
- Molecular standardisation tool☆77Updated 5 years ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆42Updated last year
- Repository for the SCS Spring School on Digital Chemistry☆20Updated 2 years ago
- Updated version of Silicos-it's shape-based alignment tool☆43Updated last year
- ☆24Updated 2 years ago
- Simple package for fast molecular similarity searches☆147Updated last week
- ☆85Updated last year
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆44Updated 2 years ago
- Community-Maintained Version of mordred☆82Updated last week
- Open-source tool for synthons-based library design.☆81Updated 7 months ago
- Write reproducible code for getting and processing ChEMBL☆78Updated last week
- FreeSASA Python Module☆56Updated 3 weeks ago