Documenting a subset of the SMILES language.
☆13Jun 23, 2022Updated 4 years ago
Alternatives and similar repositories for dialect
Users that are interested in dialect are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 👁️🗨️ Scientists often do the same bad stuff. Automate giving deterministic feedback during peer review with determinstic (LLM-free)☆32May 9, 2025Updated last year
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆13Jul 29, 2023Updated 3 years ago
- Chemoinformatics toolkit with support for inorganic molecules☆47Oct 9, 2025Updated 10 months ago
- Shaded 😎 quantile plots☆12Apr 14, 2022Updated 4 years ago
- React wrapper for ngl☆23Mar 6, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Reference implementation for the Balsa molecular line notation.☆21Apr 18, 2024Updated 2 years ago
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Updated this week
- Another Molecular String Representation☆11Aug 20, 2026Updated last week
- A peptide string building for expanding chemical dataset combinations.☆12Dec 8, 2024Updated last year
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- Evolutionary Monte Carlo algorithm for optimization in chemical space.☆13Feb 9, 2026Updated 6 months ago
- FTDMP is a software system for running docking experiments and scoring/ranking multimeric models.☆14Aug 3, 2026Updated 3 weeks ago
- Webpage for the ChemRxiv dashboard☆12Mar 10, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Quick and dirty protonation☆18Jun 15, 2022Updated 4 years ago
- Improving Inductive Link Prediction Using Hyper-Relational Facts☆16May 25, 2022Updated 4 years ago
- IBM Molecule Generation Experience (MolGX) is a tool to accelerate an AI-driven design of new materials.☆16Oct 26, 2022Updated 3 years ago
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Oct 11, 2022Updated 3 years ago
- A molecular identifier and descriptor for all domains of chemistry.☆26Aug 24, 2026Updated last week
- Small angle scattering tools ... but unlike most others, free.☆12Jul 7, 2026Updated last month
- A cheminformatics toolkit for Rust.☆76Jun 12, 2021Updated 5 years ago
- MaxEnt code for fitting simulation outcomes/statistical models to observations☆18Jun 28, 2022Updated 4 years ago
- ☆39Aug 11, 2023Updated 3 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Crsytal simulation tools☆10Updated this week
- Contains relevant project files to publicly available tautomer database "Tautobase"☆24Nov 8, 2022Updated 3 years ago
- Encoding chemistry to interpret crystallographic data☆30Aug 14, 2026Updated 2 weeks ago
- A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.☆15Jun 16, 2021Updated 5 years ago
- ☆13Jul 11, 2017Updated 9 years ago
- The Academic Event Ontology (AEON) can be used to represent information regarding academic events.☆15Sep 4, 2024Updated last year
- A parser and editor for SHELXL files.☆15Aug 13, 2026Updated 2 weeks ago
- download and prepare a pdb file for docking wth Vina-flavoured algorithms☆13Oct 11, 2021Updated 4 years ago
- This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.☆13Feb 22, 2022Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Molecular Annotation and Recognition for Curating Unravelled Structures☆31Jan 15, 2026Updated 7 months ago
- Python package for automated transition metal complex conformer generation☆24Dec 4, 2025Updated 8 months ago
- ☆13Jun 4, 2023Updated 3 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆83Jun 1, 2025Updated last year
- (inactive) A web application client for chemical data analysis and visualization.☆18Jun 22, 2022Updated 4 years ago
- Code to analyze SAR datasets for Nonadditivity☆20Aug 8, 2021Updated 5 years ago
- Make valid molecular graphs!☆23Mar 8, 2024Updated 2 years ago