Interactive Python Notebooks for Physical Chemistry
☆32Apr 7, 2023Updated 3 years ago
Alternatives and similar repositories for Python-Notebooks-for-Physical-Chemistry
Users that are interested in Python-Notebooks-for-Physical-Chemistry are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Scientific Computing for Chemists with Python is a free book for teaching basic coding skills to chemists using Python, Jupyter notebooks…☆325Feb 15, 2026Updated 3 months ago
- Learning Machine Learning☆14Aug 24, 2023Updated 2 years ago
- Advanced Chemical Engineering Thermodynamics☆25Dec 9, 2017Updated 8 years ago
- ☆14Feb 8, 2022Updated 4 years ago
- Solutions to the complete set of assignment problems which I did while crediting Computational Physics course by Prof. Manish Jain at IIS…☆11May 30, 2021Updated 5 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A Python library for NMR simulation☆29Jan 15, 2024Updated 2 years ago
- ☆17Apr 10, 2024Updated 2 years ago
- CHEM331 - Physical Chemistry I☆11Dec 4, 2017Updated 8 years ago
- A series of jupyter notebooks to help chemistry students learn python for analytical chemistry☆54Oct 22, 2025Updated 7 months ago
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆33Updated this week
- ☆17Sep 7, 2023Updated 2 years ago
- Applying Maths in the Chemical and Biomolecular Sciences by Godfrey Beddard☆17Jul 18, 2025Updated 10 months ago
- Software Scripts for Statistics Book☆46Nov 11, 2025Updated 7 months ago
- Contains Jupyter notebooks and other materials prepared for the course Numerical Methods offered at TIFR Hyderabad (https://moldis-group.…☆12Dec 26, 2022Updated 3 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- Entropy from PDB conformational ensembles☆13Mar 28, 2024Updated 2 years ago
- PyChemEngg is a python-based framework to promote problem solving and critical thinking in chemical engineering.☆16Oct 26, 2021Updated 4 years ago
- Material on Machine Learning methods applied to Physics analysis, with an emphasis on Regression and Deep Learning Methods. https://comp…☆21May 4, 2023Updated 3 years ago
- ☆13Mar 16, 2026Updated 2 months ago
- Some demos using Nvidia RAPIDS for Cheminformatics☆13Aug 17, 2020Updated 5 years ago
- quantum chemistry common driver and databases☆16Dec 6, 2022Updated 3 years ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆29Jan 16, 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.
- ☆12Nov 15, 2020Updated 5 years ago
- A tool for setting up free energy simulations.☆37Oct 20, 2022Updated 3 years ago
- Zeobuilder is an extensible GUI-toolkit for molecular model construction.☆13Feb 15, 2019Updated 7 years ago
- Automatic Prediction of Peak Optical Absorption Wavelengths in Molecules using Convolutional Neural Networks☆14Sep 2, 2024Updated last year
- eChem: Jupyter book on theoretical chemistry☆113May 4, 2026Updated last month
- Some missing bits of POSIX for macOS.☆20Oct 6, 2021Updated 4 years ago
- iRASPA for linux and windows☆37Aug 27, 2024Updated last year
- python multiple-tau correlation algorithm☆22Jun 27, 2024Updated last year
- Automatic CHARMM-GUI browser interaction with Python☆19Mar 20, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Predict allosteric pockets on proteins☆15Mar 28, 2022Updated 4 years ago
- 📚 MIT Manipal Data Science Engineering: Your go-to resource hub for lab study materials, code, and more. Enhance your learning with this…☆11Sep 3, 2024Updated last year
- pywindow is a Python package for structural analysis of discrete molecules with voids and windows, individually, in molecular systems and…☆13Sep 29, 2025Updated 8 months ago
- FeynGrav is a Wolfram Mathematica package that implements Feynman rules for gravity within FeynCalc framewok.☆17May 15, 2026Updated 3 weeks ago
- Show BeaurifulSoup's find result in a webview.☆30Mar 3, 2014Updated 12 years ago
- Some GROMACS tutorials using methane and water☆16Dec 7, 2016Updated 9 years ago
- Screening protocol with AUTODOCK-GPU☆14Feb 27, 2023Updated 3 years ago