Essential Cheminformatics
☆23May 25, 2010Updated 15 years ago
Alternatives and similar repositories for mx
Users that are interested in mx are comparing it to the libraries listed below
Sorting:
- Virtual screening and cheminformatics utilities☆14Jan 20, 2016Updated 10 years ago
- Etomica is a molecular simulation framework written in Java, developed at the Department of Chemical & Biological Engineering at the Uni…☆16Feb 23, 2026Updated last week
- A subgraph isomorphism algorithm.☆14Feb 12, 2021Updated 5 years ago
- InChI for the Browser☆15Feb 24, 2017Updated 9 years ago
- Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.☆13Nov 25, 2015Updated 10 years ago
- Repository contains the derivation of Belief Propagation algorithm from the ground up, as well as generic Java implementation of the Loop…☆11Nov 3, 2016Updated 9 years ago
- MAterials Simulation Toolkit for use with pymatgen☆17Feb 21, 2024Updated 2 years ago
- Utilities for working with the RDKit☆20Sep 5, 2016Updated 9 years ago
- Simple library for reading trajectory coordinates☆18Oct 5, 2016Updated 9 years ago
- RI is a general purpose algorithm for one-to-one exact subgraph isomorphism problem maintaining topological constraints.☆20Jul 11, 2022Updated 3 years ago
- Resources for Learning Cheminformatics with the RDKit☆19Apr 7, 2019Updated 6 years ago
- 13th RDKit UGM. 11-13 September in Zurich, Switzerland☆27Nov 28, 2024Updated last year
- MMTSB Tool Set☆33Jan 26, 2026Updated last month
- ☆12Nov 8, 2025Updated 3 months ago
- Chemical Engineering at UP LaTeX templates☆10Sep 12, 2021Updated 4 years ago
- A function invocation framework for Python☆11Feb 21, 2024Updated 2 years ago
- Atomistic Manipulation Toolkit☆36Aug 27, 2025Updated 6 months ago
- Web forms for Clojure and ClojureScript - rendering, parsing, and validating☆10Dec 3, 2015Updated 10 years ago
- Information geometry and its extension information topology