A purely functional cheminformatics toolkit written in Scala
☆16Jun 7, 2013Updated 13 years ago
Alternatives and similar repositories for chemf
Users that are interested in chemf are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A lightweight generic cheminformatics toolkit☆20Apr 14, 2016Updated 10 years ago
- Javascript Reaction Editor and Cheminformatics Library☆14Jun 13, 2011Updated 15 years ago
- Perception and labelling of stereogenic centres in chemical structures☆21Aug 6, 2026Updated last month
- Effectful Streaming for Idris☆15Dec 13, 2020Updated 5 years ago
- RDKit wrapper☆50Apr 9, 2024Updated 2 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Estimating Nucleophilicity and Electrophilicity with Automated Quantum Chemistry-Based Computations of Methyl Affinities☆14Oct 21, 2024Updated last year
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Jun 15, 2017Updated 9 years ago
- Now renamed as Kemia☆17Jun 1, 2010Updated 16 years ago
- Open Source, Prepare a molecular dynamic simulation from scratch without installing local VMD, use LigParGen for topology, it is one of t…☆14Jul 3, 2023Updated 3 years ago
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- implementation deriving for idris2☆13Feb 21, 2021Updated 5 years ago
- Idris 2 bindings to various C libraries☆15Jun 28, 2021Updated 5 years ago
- OCEAN - Optimized Cross rEActivity estimatioN☆12Apr 29, 2020Updated 6 years ago
- ☆16Apr 10, 2019Updated 7 years ago
- 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.
- Golden tests for command-line interfaces.☆19Apr 2, 2026Updated 5 months ago
- Utilities for working with the RDKit☆20Sep 5, 2016Updated 10 years ago
- ☆16Oct 28, 2019Updated 6 years ago
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆16Jul 19, 2015Updated 11 years ago
- OCaml backend for Idris2☆21Oct 12, 2020Updated 5 years ago
- ITT: quantified dependent calculus with inference of all modalities, implemented in Idris 2☆25Dec 5, 2024Updated last year
- NMF-mGPU web site:☆27May 2, 2015Updated 11 years ago
- Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.☆13Nov 25, 2015Updated 10 years ago
- Chemoinformatics tool for ligand-based virtual screening☆19Jan 11, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.☆37Apr 11, 2024Updated 2 years ago
- ☆17Mar 14, 2025Updated last year
- SMILES Toolkit☆25Updated this week
- 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☆99Mar 5, 2026Updated 6 months ago
- Experimental JS bindings for idris2-rhone☆21Oct 22, 2023Updated 2 years ago
- Naive Bayes classifier written in Scalding☆27Feb 23, 2014Updated 12 years ago
- A chemistry toolkit for Python☆26Oct 22, 2010Updated 15 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Jan 17, 2023Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Contains relevant project files to publicly available tautomer database "Tautobase"☆24Nov 8, 2022Updated 3 years ago
- Parse a SDF file and convert it to an array of objects☆11May 25, 2026Updated 3 months ago
- Neural networks for amino acid sequences☆22Feb 26, 2018Updated 8 years ago
- Functional Geometry in Prolog☆18May 17, 2020Updated 6 years ago
- Wrapper to access InChI from Java☆10Jul 26, 2026Updated last month
- Create molecular hashes☆27Jul 18, 2019Updated 7 years ago
- ☆23May 10, 2025Updated last year