metamolecular / balsaLinks
Reference implementation for the Balsa molecular line notation.
☆16Updated last year
Alternatives and similar repositories for balsa
Users that are interested in balsa are comparing it to the libraries listed below
Sorting:
- Primitives for reading and writing the SMILES language in Rust.☆23Updated 2 years ago
- RDKit Made Idiomatic for Rust☆24Updated 8 months ago
- A cheminformatics toolkit for Rust.☆73Updated 4 years ago
- Documenting a subset of the SMILES language.☆13Updated 3 years ago
- Repository for molar crate and its dependencies☆33Updated last week
- Python-based Informatics Kit for Analysing Chemical Units☆71Updated last year
- Rust crate for linking against the RDKit C++ API☆21Updated last year
- Molecular Generation by Fast Assembly of SMILES Fragments☆57Updated 9 months ago
- Schrodinger-developed 2D Coordinate Generation☆44Updated last month
- Enable cheminformatics and quantum chemistry☆75Updated last year
- Open Source Implementation of the Unique Ring Families Algorithm (Cheminformatics)☆18Updated last year
- ☆13Updated this week
- ☆25Updated 2 years ago
- A Fast Chemical Graph Generator☆83Updated 2 years ago
- Extracting medicinal chemistry intuition via preference machine learning☆110Updated last year
- Advanced toolkit for binding free energy calculations☆33Updated last month
- mmCIF Core Access Library☆47Updated this week
- Modeling molecular ensembles with scalable data structures and parallel computing☆36Updated 2 weeks ago
- It's a package for evaluation of predicted poses, right?☆63Updated last week
- Materials for the oxford computational biochemistry course including python☆48Updated 2 years ago
- Sire Molecular Simulations Framework☆59Updated this week
- Source code for HOLE program.☆35Updated 11 months ago
- Rust wrapper for the RDKit using CFFI☆17Updated this week
- The Chemical Data Processing Toolkit☆97Updated this week
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆56Updated this week
- MD trajectory server☆34Updated 2 years ago
- A collection of molecular optimisers and property calculators for use with stk.☆24Updated 3 months ago
- A Rust implementation of the LightDock macromolecular docking software☆29Updated last year
- Best practice document for alchemical free energy calculations going to livecoms journal☆75Updated this week
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆61Updated 5 months ago