Tutorials showcasing various capabilities of Libra
☆24Mar 29, 2026Updated last week
Alternatives and similar repositories for Tutorials_Libra
Users that are interested in Tutorials_Libra are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆54Updated this week
- Python quantum chemistry (experimental and test routines)☆13May 21, 2021Updated 4 years ago
- ☆24Mar 12, 2026Updated last month
- Concentric Approximation - Non-adiabatic Coupling☆26Mar 9, 2026Updated last month
- The main branch of the Pyxaid code☆12May 12, 2017Updated 8 years ago
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆77May 23, 2025Updated 10 months ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- Pairwise interaction segment activity coefficients, reference implementation in Python☆19Apr 27, 2024Updated last year
- CHEM331 - Physical Chemistry I☆11Dec 4, 2017Updated 8 years ago
- Python script for command-line manipulation of molecules☆22Apr 29, 2023Updated 2 years ago
- Course material for an undergraduate quantum chemistry lab class☆54Aug 28, 2024Updated last year
- ab-initio nonadiabatic molecular dynamics program☆121May 21, 2024Updated last year
- ☆34Jan 31, 2024Updated 2 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- Natural-orbital Functional based on PySCF☆10Aug 27, 2024Updated last year
- JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation☆21Jun 1, 2021Updated 4 years ago
- A Framework for Database Accelerated Quantum Chemistry☆11Jul 30, 2024Updated last year
- Real-time TDDFT for Quantum-Espresso☆24Jun 22, 2023Updated 2 years ago
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆30Mar 31, 2026Updated last week
- software package for tight-binding DFT calculations on ground and excited states of molecules☆13Feb 13, 2020Updated 6 years ago
- quantum chemistry common driver and databases☆16Dec 6, 2022Updated 3 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Aug 5, 2020Updated 5 years ago
- ☆12Sep 9, 2020Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆16Jan 31, 2023Updated 3 years ago
- Amateurish molecular electronic structure program.(for linux)☆24Nov 1, 2016Updated 9 years ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Mar 12, 2026Updated 3 weeks ago
- Tutorials on CP2K calculations☆65Dec 16, 2021Updated 4 years ago
- Mathematica modules for electronic structure calculations☆37Aug 30, 2023Updated 2 years ago
- A Fortran90 program for unfolding phonon dispersions☆11Jun 12, 2020Updated 5 years ago
- Learning Machine Learning☆13Aug 24, 2023Updated 2 years ago
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆40Apr 7, 2019Updated 7 years ago
- Materials for the 2021 PRACE Workshop @ SurfSARA☆30Nov 11, 2021Updated 4 years ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Variational Quantum Eigensolver (VQE) from scratch on molecular hydrogen☆16Feb 17, 2021Updated 5 years ago
- ☆28Jan 9, 2024Updated 2 years ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆14Apr 18, 2023Updated 2 years ago
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆46Mar 16, 2026Updated 3 weeks ago
- Scripts and instructions for deploying ORCA quantum chemistry program on Linux.☆17Jan 14, 2026Updated 2 months ago
- Yell is a program for diffuse scattering interpretation using the 3D-∆PDF refinement.☆13Mar 6, 2026Updated last month
- ☆19Oct 24, 2018Updated 7 years ago