🧪 A comprehensive chemistry library for Python.
☆65Jan 11, 2023Updated 3 years ago
Alternatives and similar repositories for chemlib
Users that are interested in chemlib are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆12Mar 12, 2023Updated 3 years ago
- ☆13Jul 13, 2019Updated 7 years ago
- A python package for spectral deconvolution of UV-Vis waveforms☆14Jul 1, 2021Updated 5 years ago
- Brent's code for FTIR deconvolution☆12Dec 17, 2020Updated 5 years ago
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆24Aug 27, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Predict materials properties using only the composition information!☆18Jun 4, 2025Updated last year
- Controlling Jubilees for Science!☆48Apr 23, 2026Updated 5 months ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆24Dec 8, 2020Updated 5 years ago
- Twin-deep neural network for semi-supervised learning of materials properties☆12Feb 1, 2023Updated 3 years ago
- ⚗ A package useful for chemistry written in Python☆658Sep 19, 2026Updated 3 weeks ago
- Codes and models for "Semi-supervised machine-learning classification of materials synthesis procedures". (https://doi.org/10.1038/s41524…☆10Apr 24, 2022Updated 4 years ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆27Sep 1, 2022Updated 4 years ago
- [ICML 2025] Hierarchical Graph Tokenization for Molecule-Language Alignment☆17Aug 18, 2025Updated last year
- A molecular identifier and descriptor for all domains of chemistry.☆26Aug 24, 2026Updated last month
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- PyChemEngg is a python-based framework to promote problem solving and critical thinking in chemical engineering.☆15Oct 26, 2021Updated 4 years ago
- ☆42Nov 16, 2023Updated 2 years ago
- ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) an ontological framework and open-source software packa…☆20Feb 16, 2023Updated 3 years ago
- A molecule viewer with cavity computation☆17Jul 29, 2026Updated 2 months ago
- ☆28Nov 18, 2023Updated 2 years ago
- A high performance mapping class to construct ElM2D plots from large datasets of inorganic compositions.☆10Oct 8, 2026Updated last week
- PHP/MySQL-based chemical inventory/Electronic Lab Notebook for chemistry☆14Jul 11, 2024Updated 2 years ago
- ☆11Aug 3, 2023Updated 3 years ago
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆35Aug 10, 2022Updated 4 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Python Package for electrochemical analysis☆28Apr 28, 2025Updated last year
- Quantum mechanical descriptor generation☆58Oct 27, 2020Updated 5 years ago
- Robust solver for the compressible Blasius equations for laminar, high-speed flow, boundary layers over a flat plate.☆17Dec 17, 2021Updated 4 years ago
- Software for evaluating pareto-optimal synthesis pathways☆23Jun 10, 2024Updated 2 years ago
- Visualization of multiple tandem mass spectrometry data☆10Jun 15, 2020Updated 6 years ago
- ☆15Aug 13, 2021Updated 5 years ago
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆108Nov 24, 2024Updated last year
- Self-driving laboratory for accelerated discovery of thin-film materials - data repository☆23Dec 22, 2025Updated 9 months ago
- A graph database tool for experimental data in materials science and chemistry.☆20Jan 7, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆22Aug 31, 2020Updated 6 years ago
- ☆10Jun 21, 2025Updated last year
- CLAIRify: Errors are Useful Prompts: Instruction Guided Task Programming with Verifier-Assisted Iterative Prompting☆48Dec 6, 2024Updated last year
- A curated list of Python packages related to chemistry☆1,447Sep 21, 2025Updated last year
- Chemical Methods Ontology☆18Sep 30, 2026Updated 2 weeks ago
- Aioli: A unified optimization framework for language model data mixing☆34Jan 17, 2025Updated last year
- Command line tool to generate Kripo fingerprints from Protein Data Bank files.☆19Dec 26, 2022Updated 3 years ago