Garden-AI / gardenLinks
☆37Updated last 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 6 months ago
- Sparse Linear Regression Models☆19Updated last week
- ☆34Updated 2 years ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- The MDF Connect Client is the Python client to easily submit datasets to MDF Connect.☆10Updated last year
- ☆43Updated 7 months ago
- Course materials for "Applied AI for Materials Science and Engineering"☆67Updated 3 years ago
- ☆30Updated last week
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Updated 2 months ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆22Updated 4 years ago
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆89Updated last week
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆34Updated 2 years ago
- Up-scale python functions for high-performance computing (HPC)☆54Updated last week
- jobflow is a library for writing computational workflows.☆113Updated this week
- A program to automatically generate volcano plots for catalysis.☆15Updated 11 months ago
- Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.☆31Updated this week
- An extensible library of tools that extract metadata from scientific files☆15Updated 2 years ago
- Repo for a DOE HPC workflow training event☆13Updated 2 years ago
- ☆42Updated last year
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆22Updated this week
- Massively parallel hybrid particle-field molecular dynamics in Python.☆29Updated last year
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- Gibbs-Helmholtz Graph Neural Network☆19Updated 2 years ago
- Library for steering campaigns of simulations on supercomputers☆58Updated 5 months ago
- ☆11Updated 2 years ago
- molecular point group symmetry lib☆12Updated 11 months ago
- ☆42Updated last week
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆46Updated this week
- Computational Chemistry Input Generator☆50Updated last month
- PyTorch Autodiff DFT-D4 Implementation.☆21Updated last week