A cheminformatics toolkit for Rust.
☆76Jun 12, 2021Updated 5 years ago
Alternatives and similar repositories for chemcore
Users that are interested in chemcore are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- RDKit Made Idiomatic for Rust☆28Oct 9, 2026Updated 3 weeks ago
- Primitives for reading and writing the SMILES language in Rust.☆27Sep 9, 2022Updated 4 years ago
- Rust data structures and client for the PubChem REST API☆14Mar 20, 2023Updated 3 years ago
- Rust crate for linking against the RDKit C++ API☆21Oct 26, 2023Updated 3 years ago
- Monorepo for the Earth Metabolome Initiative☆10Updated this week
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Web Molecular Toolkit: cheminformatics functionality in TypeScript☆38Oct 13, 2026Updated 2 weeks ago
- Documenting a subset of the SMILES language.☆13Jun 23, 2022Updated 4 years ago
- Rust wrapper for the RDKit using CFFI☆16Jul 17, 2026Updated 3 months ago
- Materials from the (virtual) 2021 RDKit UGM☆38Oct 22, 2021Updated 5 years ago
- Data for Coordination Complexes for the InChI Identifier☆12May 11, 2021Updated 5 years ago
- ☆13Aug 5, 2025Updated last year
- A Rust library for basic signal processing in mass spectrometry☆14Oct 22, 2026Updated last week
- Rust bindings to chemfiles☆17Mar 9, 2026Updated 7 months ago
- A pure-Rust cheminformatics library targeting RDKit feature parity — zero C/C++ by default.☆31Updated this week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A Multi-Modal, Multi-Energy MS2 Spectral Library☆14Oct 20, 2026Updated last week
- Metabolic In silico Network Expansion (MINE) Database Construction and DB Logic☆22Apr 21, 2026Updated 6 months ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Contains relevant project files to publicly available tautomer database "Tautobase"☆25Nov 8, 2022Updated 3 years ago
- Molecular Processing Made Easy.☆557Sep 9, 2026Updated last month
- This is a generic C++ library that can be used to rapidly align two small molecules in 3D space, with shape - and optionally color - Tani…☆17Sep 3, 2025Updated last year
- A Fast Chemical Graph Generator☆101Mar 5, 2026Updated 7 months ago
- An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings☆14Feb 1, 2025Updated last year
- A Python library for structural cheminformatics☆111Nov 18, 2025Updated 11 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Chemical reaction data cleaning☆32Apr 19, 2022Updated 4 years ago
- A parser and editor for SHELXL files.☆15Sep 29, 2026Updated last month
- Reference implementation for the Balsa molecular line notation.☆21Apr 18, 2024Updated 2 years ago
- ☆15May 9, 2018Updated 8 years ago
- Molecular Annotation and Recognition for Curating Unravelled Structures☆31Jan 15, 2026Updated 9 months ago
- Molecular filtering for drug discovery.☆79Oct 1, 2026Updated 3 weeks ago
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆117Dec 5, 2025Updated 10 months ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆39Dec 27, 2023Updated 2 years ago
- SMILES Depiction Generator☆71Sep 3, 2026Updated last month
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A purely functional cheminformatics toolkit written in Scala☆16Jun 7, 2013Updated 13 years ago
- A Python package for calculating molecular features☆239Sep 2, 2026Updated last month
- Reaction SMILES-AA mapping via language modelling☆30Sep 11, 2024Updated 2 years ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆18Oct 4, 2021Updated 5 years ago
- Deprecated, visit chembience/core for further develompment. (A Docker-based, cloudable platform for the development of chemoinformatics-c…☆47May 27, 2026Updated 5 months ago
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆865May 17, 2025Updated last year
- A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.☆75Jun 20, 2026Updated 4 months ago