bjmorgan / python_in_chemistryLinks
☆11Updated 2 months ago
Alternatives and similar repositories for python_in_chemistry
Users that are interested in python_in_chemistry are comparing it to the libraries listed below
Sorting:
- An open-source, online textbook introducing Python programming to chemistry students☆27Updated 5 years ago
- Python input file generators for Avogadro 2☆15Updated last month
- ☆21Updated 2 months ago
- Teaching Utility for Classical Atomistic Simulation.☆30Updated last year
- Implementation of various machine learning representations for molecules☆25Updated 3 years ago
- Course materials for "Applied AI for Materials Science and Engineering"☆68Updated 3 years ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆28Updated last year
- Flowchem is an application to simplify the control of instruments and devices commonly found in chemistry labs.☆19Updated last month
- Python tools for quantum chemical calculations☆20Updated last year
- A program to automatically generate volcano plots for catalysis.☆15Updated last year
- ☆12Updated 5 years ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆17Updated 6 years ago
- Python-based library for working with computational chemistry files☆21Updated last month
- Shaded 😎 quantile plots☆12Updated 3 years ago
- Common molecule fragments for visualization in Avogadro☆17Updated last month
- CHE 599 at Oregon State University☆21Updated 5 years ago
- Applying Maths in the Chemical and Biomolecular Sciences by Godfrey Beddard☆16Updated 4 months ago
- polygon (ring network) discovery from XYZ files☆10Updated 9 years ago
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆26Updated last month
- Hands-on workshop showing good software development practices to create a Python package.☆42Updated 4 months ago
- This is JSmol viewer widget for Jupyter Notebooks and JupyterLab☆33Updated 2 years ago
- ☆34Updated 2 years ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Updated 5 years ago
- ML4Chem: Machine Learning for Chemistry and Materials☆100Updated last year
- References, presentations and other resources☆15Updated 2 years ago
- kinetic isotope effect prediction with Gaussian☆16Updated 2 years ago
- Jupyter Book source files for MSD summer research internship.☆20Updated 2 years ago
- Examples for the freud library.☆14Updated this week
- ☆43Updated 8 months ago
- Training materials☆22Updated 6 years ago