A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.
☆12Jun 16, 2021Updated 4 years ago
Alternatives and similar repositories for pylabware
Users that are interested in pylabware are comparing it to the libraries listed below
Sorting:
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆13Jul 29, 2023Updated 2 years ago
- Common molecule fragments for visualization in Avogadro☆17Feb 6, 2026Updated 3 weeks ago
- (inactive) A web application client for chemical data analysis and visualization.☆17Jun 22, 2022Updated 3 years ago
- A graph database tool for experimental data in materials science and chemistry.☆19Jan 7, 2025Updated last year
- Make valid molecular graphs!☆23Mar 8, 2024Updated last year
- Automated Transition States Builder☆11Jun 1, 2023Updated 2 years ago
- Shaded 😎 quantile plots☆12Apr 14, 2022Updated 3 years ago
- metallocage construction and binding affinity calculations☆16May 30, 2023Updated 2 years ago
- Material of the seminar "Julia for Materials Modelling"☆30Jun 23, 2023Updated 2 years ago
- ☆15Jun 8, 2022Updated 3 years ago
- ☆12Sep 9, 2020Updated 5 years ago
- Scripts and instructions for deploying ORCA quantum chemistry program on Linux.☆17Jan 14, 2026Updated last month
- ☆38Aug 11, 2023Updated 2 years ago
- PHP/MySQL-based chemical inventory/Electronic Lab Notebook for chemistry☆13Jul 11, 2024Updated last year
- References, presentations and other resources☆15Oct 31, 2023Updated 2 years ago
- IBM Molecule Generation Experience (MolGX) is a tool to accelerate an AI-driven design of new materials.☆15Oct 26, 2022Updated 3 years ago
- Probing the limitations of multimodal language models for chemistry and materials research☆23Feb 1, 2026Updated last month
- SAPT energy calculator built using MDAnalysis and Psi4☆15May 26, 2025Updated 9 months ago
- AARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions…☆16Jan 12, 2021Updated 5 years ago
- A program to automatically generate volcano plots for catalysis.☆15Dec 6, 2024Updated last year
- Documenting a subset of the SMILES language.☆13Jun 23, 2022Updated 3 years ago
- CHE 599 at Oregon State University☆21Dec 4, 2020Updated 5 years ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated last year
- Simple User-Friendly Reaction Format☆18Oct 22, 2024Updated last year
- autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis☆19Aug 25, 2021Updated 4 years ago
- APDFT calculates quantumchemical results for many molecules at once.☆14Jul 6, 2023Updated 2 years ago
- hierachical automation of the natural sciences☆23Feb 12, 2025Updated last year
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Dec 8, 2020Updated 5 years ago
- Common NLP (text mining) tools for materials science and chemistry, for groups at Lawrence Berkeley National Lab (LBNL) and beyond.☆22Jul 8, 2022Updated 3 years ago
- LimeSoup is a package to parse HTML or XML papers from different publishers.☆20Jan 4, 2021Updated 5 years ago
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆24Sep 21, 2024Updated last year
- PyTorch Autodiff DFT-D4 Implementation.☆23Updated this week
- Autonomous characterization of molecular compounds from small datasets without descriptors☆45Jun 25, 2025Updated 8 months ago
- VMD Audio/Text control with natural language☆19May 12, 2021Updated 4 years ago
- Pyssian is an object oriented library for parsing Gaussian logfiles and input files which aims to facilitate the everyday scripting of co…☆19Feb 10, 2026Updated 3 weeks ago
- Natural language computational chemistry command line interface.☆46Feb 4, 2023Updated 3 years ago
- ☆21Jan 25, 2023Updated 3 years ago
- Automated Monte Carlo Conformational Searching with Python☆17Nov 26, 2020Updated 5 years ago
- ☆22May 8, 2019Updated 6 years ago