Sangwon91 / PORMAKELinks
Python library for the construction of porous materials using topology and building blocks.
☆72Updated 3 months ago
Alternatives and similar repositories for PORMAKE
Users that are interested in PORMAKE are comparing it to the libraries listed below
Sorting:
- ☆60Updated 4 years ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆71Updated last week
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆39Updated last year
- Code for automated fitting of machine learned interatomic potentials.☆116Updated last week
- A system for rapid identification and analysis of metal-organic frameworks☆59Updated 9 months ago
- Active Learning for Machine Learning Potentials☆56Updated last month
- ☆90Updated last week
- A... M... L...☆50Updated 3 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆65Updated 2 years ago
- Basic sanity checks for MOFs.☆30Updated 2 years ago
- GPU Monte Carlo Simulation Code with a taste of RASPA☆65Updated last month
- Heat capacity predictor for porous materials☆12Updated last year
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆67Updated last year
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆56Updated last month
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆22Updated last month
- ☆48Updated 3 years ago
- Automated creation and manipulation of Chemical Reaction Networks (CRNs) in heterogeneous catalysis, allowing the evaluation of species a…☆33Updated 2 weeks ago
- Object-oriented refactoring of the YARP package☆18Updated last month
- A Python software package for saddle point optimization and minimization of atomic systems.☆113Updated 10 months ago
- ☆19Updated 10 months ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆57Updated 2 months ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆80Updated 2 weeks ago
- A text-guided diffusion model for crystal structure generation☆62Updated 3 months ago
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆17Updated last year
- FTCP code☆35Updated last year
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆48Updated this week
- ☆30Updated last month
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆19Updated 3 years ago
- Metadynamics code on the G-space.☆14Updated 3 years ago