A chemistry toolkit for Python
☆25Oct 22, 2010Updated 15 years ago
Alternatives and similar repositories for ChemPy
Users that are interested in ChemPy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆15Jun 23, 2020Updated 5 years ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Apr 29, 2020Updated 6 years ago
- Library for calculating exact ligand cone angles☆14Aug 21, 2022Updated 3 years ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14May 16, 2026Updated last week
- Visualization of multiple tandem mass spectrometry data☆10Jun 15, 2020Updated 5 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆15Mar 3, 2026Updated 2 months ago
- A mass spectrometry package for Julia☆11May 1, 2026Updated 3 weeks ago
- Pykinetic is a project that aims to facilitate the automation and generation of kinetic and microkinetic models. Pykinetic acts as an int…☆12Jun 4, 2025Updated 11 months ago
- Compressed Graph Representation for Scalable Molecular Graph Generation☆11Sep 24, 2020Updated 5 years ago
- ☆14Jul 24, 2023Updated 2 years ago
- ☆11Updated this week
- A modular JavaScript viewer for mass spectrometry data☆12May 20, 2022Updated 4 years ago
- Graph-based machine learning for chemical property prediction☆34Feb 13, 2025Updated last year
- MS File ToolBox - tools for parsing some mass-spectrometry related file formats (mzML, mzXML, pep.xml, prot.xml, etc.)☆12Aug 26, 2022Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Solvent accessible surface area calculation☆21Mar 12, 2025Updated last year
- A Python wrapper for the Chemistry Development Kit (CDK)☆38Sep 9, 2025Updated 8 months ago
- Bayesian Illumination is an accelerated generative model for optimization of small molecules.☆18Jun 17, 2025Updated 11 months ago
- Board files for building PYNQ linux for Zybo☆14Mar 30, 2019Updated 7 years ago
- Python input file generators for Avogadro 2☆16Apr 1, 2026Updated last month
- This is the git repository matching the Bioconductor package CAMERA: Collection of annotation related methods for mass spectrometry data☆14May 9, 2025Updated last year
- Android build for HTC Passion (Nexus One)☆25Oct 7, 2014Updated 11 years ago
- A LaTeX template pack for ieeetran, sigchi, acm-sig-alternate, llncs2e, baposter, nccr-poster and beamer☆19Sep 17, 2019Updated 6 years ago
- A Python library for experimental data calculation, treatment and display, which can be used for College Physics Experiment, Analytical C…☆14Sep 29, 2018Updated 7 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A complete Linux project for the ZYBO. This project helps me during my first steps with embedded Linux. You can find anything necessary t…☆13Oct 8, 2020Updated 5 years ago
- Official implementation of Joint Multidimensional Scaling☆24Nov 19, 2023Updated 2 years ago
- Reader and writer for different mzData formats used in protein mass spectrometry☆12May 20, 2019Updated 7 years ago
- Binder repo for chemometrics exercises☆12Mar 23, 2026Updated 2 months ago
- ☆40Feb 4, 2026Updated 3 months ago
- Load mass spectrometry mzXML files☆18Jul 14, 2022Updated 3 years ago
- Base framework for building content types, both through-the-web and as filesystem code for Zope (CMF/Plone)☆22Updated this week
- 🔬 Python Scripts for applications in Natural Sciences (Physics, Biology, Chemistry). Updating on a regular basis.☆11Feb 6, 2021Updated 5 years ago
- Specter: linear deconvolution for targeted analysis of data-independent acquisition mass spectrometry proteomics☆18Oct 11, 2018Updated 7 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆17Dec 2, 2025Updated 5 months ago
- molecule and crystal editor written in c++☆12Apr 11, 2024Updated 2 years ago
- ☆23Apr 29, 2026Updated 3 weeks ago
- Code for KekuleScope☆11Nov 22, 2022Updated 3 years ago
- GC/LC-MS data analysis for environmental science☆17Apr 9, 2026Updated last month
- The R for Mass Spectrometry meta-package☆20May 11, 2026Updated last week
- Chemometric analysis methods implemented in python☆14Jul 13, 2025Updated 10 months ago