A build recipe for Multiwfn on MacOS
☆45Jan 13, 2026Updated 3 months ago
Alternatives and similar repositories for multiwfn-mac-build
Users that are interested in multiwfn-mac-build 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 homebrew formula for Multiwfn☆28Jan 18, 2026Updated 3 months ago
- Utilities for molecular volume calculation☆11Jun 4, 2018Updated 7 years ago
- Python tools for quantum chemical calculations☆21Jan 19, 2024Updated 2 years ago
- ☆14Feb 28, 2022Updated 4 years ago
- An interface program between Gaussian and CFour.☆13Sep 18, 2023Updated 2 years 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.
- Molecular Visualization powered by Plotly☆18Aug 28, 2022Updated 3 years ago
- A simple program to solve the Eyring Equation and first/second order kinetics.☆22Jun 23, 2025Updated 10 months ago
- Spin-projected Unrestricted Hartree-Fock program☆10Apr 4, 2026Updated last month
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆59Apr 27, 2026Updated last week
- Tutorials for DeepModeling projects.☆16Mar 11, 2026Updated last month
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆38May 8, 2023Updated 3 years ago
- Estimating Nucleophilicity and Electrophilicity with Automated Quantum Chemistry-Based Computations of Methyl Affinities☆13Oct 21, 2024Updated last year
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- A ready-to-use energy diagram drawing program☆13Nov 23, 2023Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆26Oct 17, 2023Updated 2 years ago
- A general graph neural network for the prediction of reaction-level properties☆10Dec 12, 2024Updated last year
- CREST - A program for the automated exploration of low-energy molecular chemical space.☆314Dec 9, 2025Updated 5 months ago
- We provide a set of scripts to calculate native contacts from a MD. Native contacts are determined according to the overlap and rCSU appr…☆16Jul 2, 2024Updated last year
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- 视觉萌芽-基于OpenCV的视频隐藏帧检测方法研究☆18Mar 29, 2021Updated 5 years ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆59Jul 15, 2019Updated 6 years ago
- Molecular and crystal electromagnetic properties☆26May 5, 2025Updated last year
- Electro-Chemical Optimizer☆12Apr 3, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Python tools to handle CP2K output files☆50Apr 27, 2026Updated last week
- Developer repository for the LATTE code☆49Feb 23, 2026Updated 2 months ago
- Install script collection for open-source software☆14Apr 18, 2026Updated 3 weeks ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆29Feb 3, 2022Updated 4 years ago
- ☆29Nov 4, 2024Updated last year
- Make better chemistry documentation!☆15Nov 20, 2024Updated last year
- A Multi-Operator Equivariant Framework for High-Performance Machine Learning Force Fields, supporting External Fields embedding and Physi…☆17May 2, 2026Updated last week
- efficient TDDFT-ris based on MOKIT and PySCF☆20Jan 18, 2026Updated 3 months ago
- Genetic Algorithm for Structure and Phase Prediction☆20Aug 25, 2016Updated 9 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Examples from Intel Fortran coarray tutorial☆14May 24, 2021Updated 4 years ago
- n2p2 - A Neural Network Potential Package☆243Mar 17, 2025Updated last year
- ☆12Sep 9, 2020Updated 5 years ago
- Crystal structure analysis with Hirshfeld surfaces, intermolecular interaction energies and more☆28Mar 18, 2026Updated last month
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆11Nov 17, 2023Updated 2 years ago
- A tool for setting up free energy simulations.☆37Oct 20, 2022Updated 3 years ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆42Apr 28, 2026Updated last week