☆16Feb 10, 2023Updated 3 years ago
Alternatives and similar repositories for dp-tutorial
Users that are interested in dp-tutorial are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆25May 7, 2026Updated 5 months ago
- A simple program to solve the Eyring Equation and first/second order kinetics.☆22Jun 23, 2025Updated last year
- XMU Chenglab Wiki☆110Sep 28, 2026Updated last month
- A homebrew formula for Multiwfn☆30Jul 26, 2026Updated 3 months ago
- ☆14May 26, 2026Updated 5 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Globally Managed Parallel Optimization☆12Dec 17, 2022Updated 3 years ago
- efficient TDDFT-ris based on MOKIT and PySCF☆21Jan 18, 2026Updated 9 months ago
- Mirror of pDynamo computational chemistry software, which does not currently use a public version control repository☆10Feb 23, 2017Updated 9 years ago
- A tool to create pixel-accurate energy diagrams as ChemDraw object☆79Feb 2, 2025Updated last year
- Jupyter Notebook showing how to plot FES, histograms and time-series data using Matplotlib.☆13Dec 21, 2020Updated 5 years ago
- Scripts, codes, and initial structures required to reproduce the phase diagram of monolayer nanoconfined water.☆13Aug 1, 2023Updated 3 years ago
- ☆135Feb 21, 2019Updated 7 years ago
- Install script collection for open-source software☆14Jul 10, 2026Updated 3 months ago
- Psi-k Machine-learning interatomic potential workshop 2021☆11Nov 14, 2021Updated 4 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.
- Learn molecular simulation with Python☆18Dec 31, 2024Updated last year
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆34May 14, 2019Updated 7 years ago
- an automatic reaction network generator for reactive molecular dynamics simulation☆105Oct 26, 2026Updated last week
- A TCL code for the calculation of mass/number density of a system.☆19Jun 21, 2024Updated 2 years ago
- Main code repository for the PLUMED-GUI plugin for VMD☆17Jan 22, 2026Updated 9 months ago
- An interface program between Gaussian and CFour.☆14Sep 18, 2023Updated 3 years ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆53May 7, 2026Updated 5 months ago
- porousGasificationFoam for reacting flow through porous media. OpenFOAM-8 equivalent (release day) at https://github.com/btuznik/porousG…☆20Sep 30, 2026Updated last month
- Collection of ANalysis DEsigned for Large-scale Atomic simulations☆13Jan 21, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A set of tutorials to introduce new users to mBuild☆11Jun 14, 2021Updated 5 years ago
- SPaMD (Scalable Parallel Materials/Molecular Design/Dynamics Studio) is an integrated software platform developed by the research group o…☆30Apr 29, 2025Updated last year
- Chatbox is a desktop app for GPT/LLM that supports Windows, Mac, Linux & Web Online☆12Jul 9, 2023Updated 3 years ago
- Solver for reacting flow through porous media. foam-extend-4.1 equivalent at https://github.com/pjzuk/porousGasificationFoam. Submitted t…☆22Feb 11, 2022Updated 4 years ago
- Reliable explanation and ways to solve the error messages for the Gaussian quantum chemistry program. This is a per request English trans…☆98Jun 1, 2023Updated 3 years ago
- Repository for the code and documentation of EveRplot☆17May 17, 2026Updated 5 months ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Sep 16, 2026Updated last month
- 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
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论,…☆69Aug 27, 2021Updated 5 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.
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆24Jun 22, 2025Updated last year
- ☆79Sep 14, 2023Updated 3 years ago
- ☆11Oct 9, 2026Updated 3 weeks ago
- A fast, clean, and composable toolkit for molecular modeling☆50Oct 26, 2026Updated last week
- 1D density functional theory code in Python☆142Jun 30, 2023Updated 3 years ago
- DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…☆200Jul 21, 2026Updated 3 months ago
- ☆13Feb 13, 2023Updated 3 years ago