Introduction to Quantum Mechanics for Chemists
☆63Apr 6, 2026Updated 5 months ago
Alternatives and similar repositories for IntroQM
Users that are interested in IntroQM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An Extended Periodic Table of Neutral and Charged Atomic Species☆47Sep 16, 2026Updated last week
- Python library for numerical integration, interpolation, and differentiation on (molecular) grids.☆101Sep 3, 2026Updated 3 weeks ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆61Apr 27, 2026Updated 5 months ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆91Sep 16, 2026Updated last week
- Python library for reading, writing, and converting computational chemistry file formats and generating input files.☆170Sep 8, 2026Updated 2 weeks ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆35Aug 6, 2026Updated last month
- Python library for selecting diverse data subsets for machine-learning. Webserver: https://huggingface.co/spaces/QCDevs/Selector.☆42Jun 29, 2026Updated 2 months ago
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆29Updated this week
- Predictors for Blood-Brain Barrier Permeability with resampling strategies based on B3DB database.☆13Aug 12, 2025Updated last year
- A short lecture introducing plane-wave DFT methods and DFTK☆14Jun 20, 2022Updated 4 years ago
- Quantum Chemistry☆22Feb 19, 2022Updated 4 years ago
- An open-source, online textbook introducing Python programming to chemistry students☆27Dec 7, 2020Updated 5 years ago
- Applying Maths in the Chemical and Biomolecular Sciences by Godfrey Beddard☆17Aug 1, 2026Updated last month
- A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.☆59Sep 9, 2026Updated 2 weeks 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.
- WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.☆15Jul 31, 2026Updated last month
- Website documentation for the VeloxChem program.☆18Sep 15, 2026Updated last week
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆34Oct 30, 2022Updated 3 years ago
- Donostia Natural Orbital Functional Software☆31May 18, 2026Updated 4 months ago
- MOHA: MOlecular HAmiltonian☆15May 31, 2026Updated 3 months ago
- IQmol version 3☆38Jul 1, 2026Updated 2 months ago
- quantum chemistry common driver and databases☆16Dec 6, 2022Updated 3 years ago
- ☆11Mar 18, 2024Updated 2 years ago
- Non-covalent index plots in molecular systems.☆22Sep 6, 2017Updated 9 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- High performance CUDA/Python library for computing quantum chemistry density-based descriptors for larger systems using GPUs.☆20Jan 14, 2026Updated 8 months ago
- Main repository for the CP-PAW code☆12Sep 4, 2026Updated 3 weeks ago
- Notes on Electronic Structure Theory (CHEM532)☆26Feb 14, 2025Updated last year
- ⚛️ A module for solving and visualizing the Schrödinger equation.