Documenting a subset of the SMILES language.
β13Jun 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:
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physicsβ13Jul 29, 2023Updated 3 years ago
- Shaded π quantile plotsβ12Apr 14, 2022Updated 4 years ago
- Data for Coordination Complexes for the InChI Identifierβ12May 11, 2021Updated 5 years ago
- ποΈβπ¨οΈ Scientists often do the same bad stuff. Automate giving deterministic feedback during peer review with determinstic (LLM-free)β32May 9, 2025Updated last year
- Primitives for reading and writing the SMILES language in Rust.β27Sep 9, 2022Updated 4 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI β’ AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Chemoinformatics toolkit with support for inorganic moleculesβ48Oct 9, 2025Updated last year
- React wrapper for nglβ23Mar 6, 2023Updated 3 years ago
- Catalyst design for the MoritaβBaylisβHillman Reaction using a graph-based genetic algorithmβ11Jul 15, 2024Updated 2 years ago
- An abstract implementation of the registry design pattern proposed in (Hartog et. al., 2023). Provides a factory for registries that dynaβ¦β12Jun 10, 2024Updated 2 years ago
- A new python package to visualize molecules in dots hoverβ13Feb 15, 2024Updated 2 years ago
- Reference implementation for the Balsa molecular line notation.β21Apr 18, 2024Updated 2 years ago
- Evolutionary Monte Carlo algorithm for optimization in chemical space.β13Feb 9, 2026Updated 8 months ago
- Another Molecular String Representationβ11Oct 22, 2026Updated last week
- A peptide string building for expanding chemical dataset combinations.β12Dec 8, 2024Updated last year
- Deploy on Railway without the complexity - Free Credits Offer β’ AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithmsβ21Mar 13, 2023Updated 3 years ago
- Webpage for the ChemRxiv dashboardβ12Mar 10, 2025Updated last year
- Supporting models and data to doi 10.1021/acs.jcim.1c01163β15Oct 11, 2022Updated 4 years ago
- Improving Inductive Link Prediction Using Hyper-Relational Factsβ16May 25, 2022Updated 4 years ago
- A cheminformatics toolkit for Rust.β76Jun 12, 2021Updated 5 years ago
- IBM Molecule Generation Experience (MolGX) is a tool to accelerate an AI-driven design of new materials.β16Oct 26, 2022Updated 4 years ago
- A molecular identifier and descriptor for all domains of chemistry.β26Oct 20, 2026Updated last week
- PDBx/mmCIF parsers implemented in Python & JavaScript, available under the MIT license.β10Feb 2, 2022Updated 4 years ago
- Quick and dirty protonationβ19Jun 15, 2022Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer β’ AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Small angle scattering tools ... but unlike most others, free.β13Oct 8, 2026Updated 3 weeks ago
- Deprecated, visit chembience/core for further develompment. (A Docker-based, cloudable platform for the development of chemoinformatics-cβ¦β47May 27, 2026Updated 5 months ago
- Verlet Integration Demo written in C using Raylibβ11Jun 15, 2024Updated 2 years ago
- FTDMP is a software system for running docking experiments and scoring/ranking multimeric models.β14Aug 3, 2026Updated 2 months ago
- Scott is a python library to compute, for any fully-labelled (edge and node) graph, a canonical tree representative of its isomorphism clβ¦β21Jun 12, 2026Updated 4 months ago
- MaxEnt code for fitting simulation outcomes/statistical models to observationsβ18Jun 28, 2022Updated 4 years ago
- Crsytal simulation toolsβ11Updated this week
- Main InChI repositoryβ119Updated this week
- Tools for handling CIF files, and CIF parsers used for the Crystallography Open Database (COD)β26Sep 18, 2026Updated last month
- AI Agents on DigitalOcean Gradient AI Platform β’ AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Contains relevant project files to publicly available tautomer database "Tautobase"β25Nov 8, 2022Updated 3 years ago
- A parser and editor for SHELXL files.β15Sep 29, 2026Updated last month
- β10Jun 8, 2023Updated 3 years ago
- Molecular Annotation and Recognition for Curating Unravelled Structuresβ31Jan 15, 2026Updated 9 months ago
- β39Aug 11, 2023Updated 3 years ago
- This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.β13Feb 22, 2022Updated 4 years ago
- Encoding chemistry to interpret crystallographic dataβ30Oct 23, 2026Updated last week