antoniuk1 / SynthNNLinks
☆18Updated 2 years ago
Alternatives and similar repositories for SynthNN
Users that are interested in SynthNN are comparing it to the libraries listed below
Sorting:
- Wyckoff Inorganic Crystal Generator Framework☆24Updated 6 months ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆19Updated 10 months ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆84Updated 2 weeks ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆39Updated last week
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆25Updated 3 years ago
- Python interface for the zeo++ package☆14Updated last month
- GRACE models and gracemaker (as implemented in TensorPotential package)☆73Updated 2 weeks ago
- Python package to interact with high-dimensional representations of the chemical elements☆44Updated last week
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
- Active Learning for Machine Learning Potentials☆58Updated last month
- A text-guided diffusion model for crystal structure generation☆64Updated 4 months ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆36Updated 2 months ago
- A foundational potential energy dataset for materials☆42Updated last month
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆60Updated 3 months ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆65Updated 2 years ago
- The Element Movers Distance for chemical composition similarity☆35Updated 6 months ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆11Updated 2 years ago
- Phonons from ML force fields☆23Updated 2 months ago
- A Benchmarking Framework for Crystal GNNs☆20Updated last year
- AiiDA workflows for the LSMO laboratory at EPFL☆10Updated 2 years ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆46Updated 3 weeks ago
- Code for automated fitting of machine learned interatomic potentials.☆125Updated this week
- OVITO Python modifier to compute the Warren-Cowley parameters.☆33Updated 6 months ago
- ☆26Updated last year
- Python library for the construction of porous materials using topology and building blocks.☆73Updated 4 months ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆22Updated 2 months ago
- Basic sanity checks for MOFs.☆30Updated 2 years ago
- ☆61Updated 4 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆40Updated last year