liyuanhe211 / Collection_of_Frequency_Scale_FactorsView external linksLinks
A collection of frequency scale factors from various sources.
☆15Mar 15, 2023Updated 2 years ago
Alternatives and similar repositories for Collection_of_Frequency_Scale_Factors
Users that are interested in Collection_of_Frequency_Scale_Factors are comparing it to the libraries listed below
Sorting:
- A simple program to solve the Eyring Equation and first/second order kinetics.☆21Jun 23, 2025Updated 7 months ago
- A ready-to-use energy diagram drawing program☆12Nov 23, 2023Updated 2 years ago
- An interface program between Gaussian and CFour.☆13Sep 18, 2023Updated 2 years ago
- A tool to create pixel-accurate energy diagrams as ChemDraw object☆74Feb 2, 2025Updated last year
- A Chrome extension to add Sci-HUB or Lib-Gen download icons to every DOI-link on the page, with various other small changes to make scien…☆20Oct 9, 2023Updated 2 years ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated 10 months ago
- calculate chemical bond strength in solids, surfaces and molecules☆24Sep 6, 2025Updated 5 months ago
- An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of re…☆28Apr 13, 2023Updated 2 years ago
- Ramirez Lab WIKI, where you could find Tutorials, Script Library, Gallery, FAQ, and a little bit more☆13Sep 11, 2024Updated last year
- A Package for Parametrization of Molecular Mechanics Force Fields☆32Nov 13, 2022Updated 3 years ago
- Learning materials for the 3000788 Introduction to Computational Molecular Biology course☆23Nov 19, 2025Updated 2 months ago
- This jupyter notebook let's you convert sdf to pdb or SMILES to pdbqt file formats for a batch of compounds to perform cheminformatics an…☆12Nov 22, 2023Updated 2 years ago
- Adaptive string method implementation in AmberTools23 and Amber22☆14Jan 7, 2025Updated last year
- Reliable explanation and ways to solve the error messages for the Gaussian quantum chemistry program. This is a per request English trans…☆91Jun 1, 2023Updated 2 years ago
- A python implementation of pdb2oniom for QM/MM (ONIOM) calculations☆10Oct 2, 2025Updated 4 months ago
- Automated Transition States Builder☆11Jun 1, 2023Updated 2 years ago
- The files used for the introductory python for chemistry worshop☆10Sep 23, 2023Updated 2 years ago
- ☆10Oct 30, 2023Updated 2 years ago
- 编程电子书下载，电子书下载，包括C，C#，Docker，Elasticsearch，Git，Hadoop，HeadFirst，Java，Javascript，jvm，Kafka，Linux，Maven，MongoDB，MyBatis，MySQL，Netty，Nginx，Py…☆10Feb 4, 2021Updated 5 years ago
- 服务群众：给群众搭建一个南大开源镜像站的帮助文档网站。☆20Dec 29, 2021Updated 4 years ago
- VenomPred 2.0 API☆11Feb 4, 2026Updated last week
- gammcor code☆11Sep 25, 2025Updated 4 months ago
- sailVina用于Linux的反向对接脚本☆10Feb 14, 2021Updated 4 years ago
- This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A.…☆10Jan 1, 2019Updated 7 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Sep 11, 2017Updated 8 years ago
- Composable numerical solvers for unconstrained and simple-bounds constrained convex optimization problems in Rust. WASM compatible☆13Jul 10, 2025Updated 7 months ago
- ☆45Jan 16, 2026Updated 3 weeks ago
- ⛰️ PrexSyn: Efficient and Programmable Exploration of Synthesizable Chemical Space☆34Feb 2, 2026Updated last week
- A vscode theme generated with wallust color palette☆24Dec 25, 2025Updated last month
- Multi-collinear functional☆10Mar 2, 2025Updated 11 months ago
- ☆16Jul 20, 2025Updated 6 months ago
- ☆12Jul 22, 2025Updated 6 months ago
- ☆11Jun 26, 2022Updated 3 years ago
- ☆13Feb 13, 2023Updated 3 years ago
- Main repository for the CP-PAW code☆11Nov 4, 2025Updated 3 months ago
- Dyson equation solvers for Green's function methods☆11Updated this week
- ☆15Dec 4, 2025Updated 2 months ago
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF☆11Sep 24, 2024Updated last year
- .files☆15Feb 3, 2026Updated last week