π§ͺ A comprehensive chemistry library for Python.
β66Jan 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:
- β12Mar 12, 2023Updated 3 years ago
- β13Jul 13, 2019Updated 6 years ago
- Predict materials properties using only the composition information!β17Jun 4, 2025Updated 11 months ago
- Curated list of known efforts in collecting and/or curating of chemical/materials dataβ24Dec 8, 2020Updated 5 years ago
- Brent's code for FTIR deconvolutionβ12Dec 17, 2020Updated 5 years ago
- Virtual machines for every use case on DigitalOcean β’ AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Twin-deep neural network for semi-supervised learning of materials propertiesβ12Feb 1, 2023Updated 3 years ago
- A python package for spectral deconvolution of UV-Vis waveformsβ14Jul 1, 2021Updated 4 years ago
- β A package useful for chemistry written in Pythonβ647May 11, 2026Updated 2 weeks ago
- Codes and models for "Semi-supervised machine-learning classification of materials synthesis procedures". (https://doi.org/10.1038/s41524β¦β10Apr 24, 2022Updated 4 years ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.β27Sep 1, 2022Updated 3 years ago
- Controlling Jubilees for Science!β43Apr 23, 2026Updated last month
- ChemFormula is a Python library for working with chemical formulas. It supports parsing formulas, generating formatted output strings, caβ¦β33Nov 1, 2025Updated 6 months ago
- A molecular identifier and descriptor for all domains of chemistry.β26Dec 23, 2025Updated 5 months ago
- β39Nov 16, 2023Updated 2 years ago
- 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.
- ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) an ontological framework and open-source software packaβ¦β20Feb 16, 2023Updated 3 years ago
- β23Nov 18, 2023Updated 2 years ago
- PHP/MySQL-based chemical inventory/Electronic Lab Notebook for chemistryβ14Jul 11, 2024Updated last year
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing β¦β16Apr 24, 2026Updated last month
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.β34Aug 10, 2022Updated 3 years ago
- Python Package for electrochemical analysisβ27Apr 28, 2025Updated last year
- β11Aug 3, 2023Updated 2 years ago
- Quantum mechanical descriptor generationβ57Oct 27, 2020Updated 5 years ago
- Software for evaluating pareto-optimal synthesis pathwaysβ24Jun 10, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient β’ AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Visualization of multiple tandem mass spectrometry dataβ10Jun 15, 2020Updated 5 years ago
- β15Aug 13, 2021Updated 4 years ago
- Olympus: a benchmarking framework for noisy optimization and experiment planningβ97Nov 24, 2024Updated last year
- A graph database tool for experimental data in materials science and chemistry.β21Jan 7, 2025Updated last year
- Chemical Methods Ontologyβ18Updated this week
- CLAIRify: Errors are Useful Prompts: Instruction Guided Task Programming with Verifier-Assisted Iterative Promptingβ48Dec 6, 2024Updated last year
- β22Aug 31, 2020Updated 5 years ago
- β10Jun 21, 2025Updated 11 months ago
- Self-driving laboratory for accelerated discovery of thin-film materials - data repositoryβ23Dec 22, 2025Updated 5 months 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.
- A curated list of Python packages related to chemistryβ1,399Sep 21, 2025Updated 8 months ago
- HOT regions paperβ11Jun 18, 2019Updated 6 years ago
- β25Jan 22, 2025Updated last year
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of buildβ¦β24Apr 9, 2026Updated last month
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.β46Aug 20, 2024Updated last year
- This repository contains a reaction condition selector.β15Mar 19, 2025Updated last year
- An automated pipe for reproducible RNA-seq analysis with the minimal efforts from researchers. You only need to provide the taxa name andβ¦β14Mar 4, 2022Updated 4 years ago