Garden-AI / gardenLinks
☆35Updated this week
Alternatives and similar repositories for garden
Users that are interested in garden are comparing it to the libraries listed below
Sorting:
- Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry☆85Updated 4 months ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Updated last month
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆87Updated this week
- ☆30Updated last year
- Up-scale python functions for high-performance computing (HPC)☆52Updated this week
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆21Updated 4 years ago
- ☆30Updated last week
- A program to automatically generate volcano plots for catalysis.☆15Updated 10 months ago
- Gibbs-Helmholtz Graph Neural Network☆19Updated 2 years ago
- PyTorch Autodiff DFT-D4 Implementation.☆21Updated this week
- Sparse Linear Regression Models☆19Updated this week
- jobflow is a library for writing computational workflows.☆111Updated this week
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆47Updated this week
- Course materials for "Applied AI for Materials Science and Engineering"☆67Updated 3 years ago
- libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library☆19Updated last year
- ☆26Updated 11 months ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- Examples for the freud library.☆14Updated this week
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆22Updated this week
- Mr. Network is a python reaction-network for molecular systems☆11Updated 3 years ago
- ☆42Updated last year
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆34Updated 2 years ago
- A package for plotting and manipulating 1D spectra☆11Updated last year
- ☆43Updated 6 months ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆33Updated last week
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆30Updated this week
- ☆11Updated last year
- A graph database tool for experimental data in materials science and chemistry.☆19Updated 9 months ago
- ☆17Updated last year