Jupyter Noteboks for lecture and assignments for CHEM 1000: Mathematics for Chemistry at University of Pittsburgh
☆34Apr 19, 2026Updated 3 months ago
Alternatives and similar repositories for chem1000
Users that are interested in chem1000 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A place to store and edit the lab handbook for UCL courses that involve the use of open source tools in molecular docking.☆28Aug 9, 2022Updated 3 years ago
- Quantum Chemistry Teaching Labs and Exercises☆11Aug 16, 2022Updated 3 years ago
- ☆11Apr 22, 2024Updated 2 years ago
- fragbuilder is a tool to create, setup and analyze QM calculations on peptides.☆15Oct 31, 2014Updated 11 years ago
- Jupyter Notebooks for Python Introduction, University of Basel, May 2020☆14May 15, 2020Updated 6 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ipython notebooks and other materials for third year Quantum Mechanics course at UCL☆14Jan 20, 2017Updated 9 years ago
- Scientific Computing for Chemists with Python is a free book for teaching basic coding skills to chemists using Python, Jupyter notebooks…☆328Jun 28, 2026Updated 3 weeks ago
- References, presentations and other resources☆15Oct 31, 2023Updated 2 years ago
- An introduction course about scientific computing and research for the first year undergraduates taught at Fudan University.☆10Nov 6, 2025Updated 8 months ago
- Tool for mining structure-property relationships from chemical datasets☆16May 5, 2026Updated 2 months ago
- Python re-implementation of szabo.f☆10Jul 30, 2015Updated 10 years ago
- Utilities for interacting with PubChem☆17Feb 11, 2015Updated 11 years ago
- Learning Machine Learning☆14Aug 24, 2023Updated 2 years ago
- k-Bags Convolutional Neural Network☆11Jun 8, 2025Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Surrogate-based black-box optimization method for molecular properties☆13Oct 22, 2022Updated 3 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 8 months ago
- Repository for Chemical Perception Sampling Tools☆23Aug 13, 2024Updated last year
- A simple cube file viewer based on pythreejs☆24Apr 15, 2026Updated 3 months ago
- Resources for teaching quantum chemistry courses in Bonn☆42Jun 24, 2026Updated 3 weeks ago
- Martini 3 small molecule database☆73May 13, 2026Updated 2 months ago
- blend molecules!☆44Oct 13, 2025Updated 9 months ago
- materials science related animations☆13Jan 9, 2025Updated last year
- 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.
- Applying Maths in the Chemical and Biomolecular Sciences by Godfrey Beddard☆16Jul 18, 2025Updated last year
- Non-covalent index plots in molecular systems.☆21Sep 6, 2017Updated 8 years ago
- Syntax highlighting for Orca input files in vim☆16Aug 29, 2022Updated 3 years ago
- ☆21Feb 19, 2021Updated 5 years ago
- ☆119Jan 19, 2022Updated 4 years ago
- A collections of scripts for working molecular dynamics simulations☆47Jun 1, 2026Updated last month
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Feb 24, 2022Updated 4 years ago
- Some basic battery cell models written in Julia☆24Aug 27, 2021Updated 4 years ago
- Course material for an undergraduate quantum chemistry lab class☆55Aug 28, 2024Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- calculate chemical bond strength in solids, surfaces and molecules☆24Sep 6, 2025Updated 10 months ago
- A Prot paper related materials☆11Sep 5, 2022Updated 3 years ago
- Hartree-Fock Python☆20Jan 14, 2023Updated 3 years ago
- ☆10Mar 31, 2023Updated 3 years ago
- Library of Python classes for parsing LAMMPS density profiles and data files, and specifically for post-processing of MD simulations of p…☆13Feb 26, 2024Updated 2 years ago
- A one-stop-shop for handling data in computational spectroscopy☆17Jan 26, 2026Updated 5 months ago
- Materials for the oxford computational biochemistry course including python☆52Dec 13, 2022Updated 3 years ago