The files used for the introductory python for chemistry worshop
☆10Sep 23, 2023Updated 3 years ago
Alternatives and similar repositories for chemistry_python_intro
Users that are interested in chemistry_python_intro are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The files used for Series: Quantum chemistry calculations with python☆24Jul 19, 2023Updated 3 years ago
- An open-source, online textbook introducing Python programming to chemistry students☆27Dec 7, 2020Updated 5 years ago
- Docking viewer plug-in for PyMOL☆11Oct 7, 2024Updated 2 years ago
- ☆10Jul 16, 2023Updated 3 years ago
- ☆13Dec 27, 2025Updated 10 months 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.
- BINANA (BINding ANAlyzer) analyzes the geometries of predicted ligand poses to identify molecular interactions that contribute to binding…☆26Jun 30, 2025Updated last year
- Repository of computational biochemistry protocols for the Amber package☆12Oct 4, 2024Updated 2 years ago
- Tutorials on doing AMBER based Metadynamics and Gaussian Accelerated MD (GaMD)☆13Dec 1, 2025Updated 11 months ago
- how to build, install and compile with openblas☆11Jul 26, 2022Updated 4 years ago
- Tools to facilitate input generation and analysis of FCclasses (see http://www.iccom.cnr.it/en/fcclasses)☆22Jun 19, 2026Updated 4 months ago
- A Python wrapper for te spectroscopy program PGopher☆14Oct 19, 2023Updated 3 years ago
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- ☆18Aug 5, 2023Updated 3 years ago
- A free and open platform for interactive benchmarking and simulations using machine learning interatomic potentials☆25Oct 14, 2026Updated 2 weeks ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Tutorials for the PIQM-2023 Advanced School☆11Sep 29, 2026Updated last month
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆15Jun 15, 2019Updated 7 years ago
- References, presentations and other resources☆15Oct 31, 2023Updated 3 years ago
- ☆16Jun 27, 2026Updated 4 months ago
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆18Jun 25, 2024Updated 2 years ago
- Ideas for chemical similarity searches in MongoDB.☆28Feb 8, 2015Updated 11 years ago
- ☆12Nov 30, 2024Updated last year
- Some tutorials on how to use AMBER simulation package. Especially for Amber22+AmberTools23.☆22Sep 8, 2025Updated last year
- Pharmacon: A Molecular Dynamics Analysis Toolkit☆25Oct 5, 2026Updated 3 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆17Jul 20, 2026Updated 3 months ago
- ☆23Jul 29, 2026Updated 3 months ago
- Some practical theoretic background needed for running MD simulations☆23Jun 2, 2026Updated 5 months ago
- Resources for teaching quantum chemistry courses in Bonn☆43Jul 20, 2026Updated 3 months ago
- Lanczos algorithm for models of strongly correlated electrons☆10Apr 8, 2026Updated 6 months ago
- From Millions to Hits: A Practical HTVS Workflow☆20Sep 6, 2026Updated last month
- Quantum Scattering on a Lennard-Jones potential, cross-section computation.☆11Dec 31, 2025Updated 10 months ago
- Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desm…☆23Apr 14, 2026Updated 6 months ago
- Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"☆26Nov 12, 2022Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Postprocess the phonon spectra, phonon dos, atomic participation rate, mean square displacement, scattering rate, and energy cumulative …☆12Feb 27, 2021Updated 5 years ago
- Volume integral equation solver for electromagnetic scattering simulations☆16Apr 16, 2019Updated 7 years ago
- Excimontec is an open-source KMC simulation software package for modeling the optoelectronic processes in organic semiconductor materials…☆37Sep 26, 2022Updated 4 years ago
- Containerized versions of ESCOMP software (eg, CESM)☆15Aug 19, 2022Updated 4 years ago
- Climate Data Operators + Packaging branches☆14Apr 4, 2015Updated 11 years ago
- Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA) calculations in protein-protein and protein-ligand systems☆11Mar 30, 2022Updated 4 years ago
- A simple program to solve the Eyring Equation and first/second order kinetics.☆22Jun 23, 2025Updated last year