usccolumbia / BERTOSLinks
BERTOS: transformer for oxidation state prediction
☆14Updated 6 months ago
Alternatives and similar repositories for BERTOS
Users that are interested in BERTOS are comparing it to the libraries listed below
Sorting:
- A molecular simulation package integrating MLFFs in MOFs for DAC☆38Updated 3 weeks ago
- Python interface for the zeo++ package☆15Updated 3 months ago
- ☆20Updated last year
- A Benchmarking Framework for Crystal GNNs☆20Updated last year
- ☆16Updated 3 months ago
- Python library for the construction of porous materials using topology and building blocks.☆80Updated 5 months ago
- Tutorial exercises for the OPTIMADE API☆16Updated 2 years ago
- Basic sanity checks for MOFs.☆32Updated 2 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆24Updated last month
- Active Learning for Machine Learning Potentials☆61Updated 3 months ago
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆86Updated last month
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆26Updated 3 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…☆20Updated 11 months ago
- ☆18Updated 2 years ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆23Updated 7 months ago
- Python package to interact with high-dimensional representations of the chemical elements☆46Updated last week
- Original implementation of CSPML☆28Updated 10 months ago
- ☆34Updated 3 years ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆26Updated 3 years ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆43Updated this week
- Wyckoff Inorganic Crystal Generator Framework☆25Updated 8 months ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆48Updated last week
- ☆26Updated last year
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆28Updated last week
- zeo++ fork of the LSMO☆20Updated 2 years ago
- Heat capacity predictor for porous materials☆12Updated last year
- A flexible workflow for on-the-fly learning of interatomic potential models.☆31Updated this week
- GRACE models and gracemaker (as implemented in TensorPotential package)☆75Updated 2 weeks ago
- ☆13Updated last year