๐งช A comprehensive chemistry library for Python.
โ66Jan 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:
- โ12Mar 12, 2023Updated 3 years ago
- โ13Jul 13, 2019Updated 6 years ago
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.โ22Aug 27, 2024Updated last year
- Predict materials properties using only the composition information!โ17Jun 4, 2025Updated 10 months ago
- Curated list of known efforts in collecting and/or curating of chemical/materials dataโ23Dec 8, 2020Updated 5 years ago
- Managed hosting for WordPress and PHP on Cloudways โข AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Brent's code for FTIR deconvolutionโ12Dec 17, 2020Updated 5 years ago
- Twin-deep neural network for semi-supervised learning of materials propertiesโ12Feb 1, 2023Updated 3 years ago
- A python package for spectral deconvolution of UV-Vis waveformsโ14Jul 1, 2021Updated 4 years ago
- โ A package useful for chemistry written in Pythonโ640Updated this week
- Codes and models for "Semi-supervised machine-learning classification of materials synthesis procedures". (https://doi.org/10.1038/s41524โฆโ10Apr 24, 2022Updated 3 years ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.โ26Sep 1, 2022Updated 3 years ago
- Controlling Jubilees for Science!โ40Apr 9, 2026Updated last week
- ChemFormula is a Python library for working with chemical formulas. It supports parsing formulas, generating formatted output strings, caโฆโ33Nov 1, 2025Updated 5 months ago
- A molecular identifier and descriptor for all domains of chemistry.โ26Dec 23, 2025Updated 3 months ago
- 1-Click AI Models by DigitalOcean Gradient โข AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- โ38Nov 16, 2023Updated 2 years ago
- A molecule viewer with cavity computationโ17May 21, 2025Updated 10 months ago
- ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) an ontological framework and open-source software packaโฆโ20Feb 16, 2023Updated 3 years ago
- โ22Nov 18, 2023Updated 2 years ago
- PHP/MySQL-based chemical inventory/Electronic Lab Notebook for chemistryโ13Jul 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 โฆโ16Oct 31, 2025Updated 5 months ago
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.โ34Aug 10, 2022Updated 3 years ago
- Python Package for electrochemical analysisโ26Apr 28, 2025Updated 11 months ago
- โ11Aug 3, 2023Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways โข AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Quantum mechanical descriptor generationโ56Oct 27, 2020Updated 5 years ago
- Software for evaluating pareto-optimal synthesis pathwaysโ24Jun 10, 2024Updated last year
- Visualization of multiple tandem mass spectrometry dataโ10Jun 15, 2020Updated 5 years ago
- โ15Aug 13, 2021Updated 4 years ago
- Olympus: a benchmarking framework for noisy optimization and experiment planningโ98Nov 24, 2024Updated last year
- A graph database tool for experimental data in materials science and chemistry.โ19Jan 7, 2025Updated last year
- Chemical Methods Ontologyโ16Mar 4, 2026Updated last month
- CLAIRify: Errors are Useful Prompts: Instruction Guided Task Programming with Verifier-Assisted Iterative Promptingโ47Dec 6, 2024Updated last year
- โ22Aug 31, 2020Updated 5 years ago
- Managed hosting for WordPress and PHP on Cloudways โข AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- โ10Jun 21, 2025Updated 9 months ago
- A curated list of Python packages related to chemistryโ1,379Sep 21, 2025Updated 6 months ago
- Self-driving laboratory for accelerated discovery of thin-film materials - data repositoryโ23Dec 22, 2025Updated 3 months ago
- HOT regions paperโ11Jun 18, 2019Updated 6 years ago
- โ25Jan 22, 2025Updated last year
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of buildโฆโ24Apr 9, 2026Updated last week
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.โ46Aug 20, 2024Updated last year