lllangWV / ParquetDBLinks
☆17Updated 3 weeks ago
Alternatives and similar repositories for ParquetDB
Users that are interested in ParquetDB are comparing it to the libraries listed below
Sorting:
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆21Updated 4 years ago
- Simmate is full-stack framework for chemistry research.☆35Updated last week
- Up-scale python functions for high performance computing (HPC)☆38Updated this week
- A graph database tool for experimental data in materials science and chemistry.☆19Updated 7 months ago
- A program to automatically generate volcano plots for catalysis.☆14Updated 8 months ago
- Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry☆82Updated 2 months ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆45Updated this week
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- Course materials for "Applied AI for Materials Science and Engineering"☆65Updated 3 years ago
- A Basic Symmetry Module (Python)☆17Updated 3 months ago
- A top-level, user-focused, conglomerate repo for the NWChemEx project.☆13Updated last week
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook☆33Updated this week
- Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093☆45Updated last month
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆26Updated 2 months ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Updated 10 months ago
- jobflow is a library for writing computational workflows.☆104Updated this week
- ☆11Updated last year
- A package for plotting and manipulating 1D spectra☆11Updated last year
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Updated 10 months ago
- A crystal structure finder written in PyQt5 and Python3☆16Updated 3 months ago
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆34Updated 2 years ago
- NIST Interatomic Potential Repository property calculation tools☆24Updated this week
- ☆17Updated last year
- A Working Group on connecting and advancing interoperability of efforts on automated extraction of metadata from materials and chemical f…☆14Updated last year
- ☆26Updated 9 months ago
- Distributed representations of atoms, inspired by the Skip-gram model☆26Updated 2 years ago
- ☆12Updated 11 months ago
- Python package to simulate differential absorption spectra of crystals from first principles☆31Updated this week
- KIM-based Learning-Integrated Fitting Framework for interatomic potentials.☆38Updated last month