Classical molecular simulation code
☆174Jul 13, 2024Updated 2 years ago
Alternatives and similar repositories for RASPA2
Users that are interested in RASPA2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This software is a general purpose classical simulation package. Online documentation available at:☆103Aug 3, 2026Updated last week
- GPU Monte Carlo Simulation Code with a taste of RASPA☆97Updated this week
- A workflow to create computation-ready metal-organic framework database.☆41Updated this week
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆18Feb 21, 2024Updated 2 years ago
- iRASPA for linux and windows☆38Aug 27, 2024Updated last year
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆169May 24, 2023Updated 3 years ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- Basic sanity checks for MOFs.☆35Jul 6, 2026Updated last month
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆19Mar 27, 2025Updated last year
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆165Nov 15, 2025Updated 8 months ago
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- Python library for the construction of porous materials using topology and building blocks.☆92Updated this week
- Modification of RASPA2 code for GC-TMMC simulations☆13Apr 18, 2024Updated 2 years 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.
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆54Oct 22, 2023Updated 2 years ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- ☆25Mar 8, 2023Updated 3 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆63Dec 29, 2023Updated 2 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆66Jun 5, 2026Updated 2 months ago
- Charge equilibration method for crystal structures☆17Dec 16, 2022Updated 3 years ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆23Nov 13, 2021Updated 4 years ago
- High-throughput DFT of MOFs using ASE/VASP☆31May 22, 2023Updated 3 years ago
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆12Nov 22, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Simulates molecular adsorption and diffusion on nanoporous materials.☆19Apr 28, 2026Updated 3 months ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆32Jul 28, 2025Updated last year
- ☆33Jul 25, 2025Updated last year
- Dashboard to explore CoRE MOF database☆13Jul 5, 2020Updated 6 years ago
- CoRE-MOF as a Python package☆25Nov 21, 2024Updated last year
- Julia package towards classical molecular modeling of nanoporous materials☆57Jun 27, 2024Updated 2 years ago
- ☆19Jun 29, 2017Updated 9 years ago
- A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE☆20Updated this week
- 适用于多孔材料吸附性质模拟软件——RASPA的脚本工具集合,可用于并行计算等温线、高通量模拟,zeo++参数自动化计算、批量结果分析等。A collection of scripting tools for RASPA, which can be used for para…☆59Apr 1, 2025Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Ideal Adsorbed Solution Theory☆66Jul 11, 2021Updated 5 years ago
- ☆34Aug 3, 2021Updated 5 years ago
- NO LONGER UPDATED. Use the official repository.☆91May 27, 2020Updated 6 years ago
- Mirror of http://zeoplusplus.org/☆15May 3, 2018Updated 8 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆123May 23, 2026Updated 2 months ago
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated 11 months ago
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆56Updated this week