anhender / mse_ML_datasetsLinks
☆16Updated 3 years ago
Alternatives and similar repositories for mse_ML_datasets
Users that are interested in mse_ML_datasets are comparing it to the libraries listed below
Sorting:
- Reference implementation in python for Citrination api☆14Updated 4 years ago
- ☆26Updated 2 years ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆44Updated last year
- ☆17Updated 7 months ago
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆37Updated 2 years ago
- Distributed representations of atoms, inspired by the Skip-gram model☆26Updated 2 years ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆22Updated 4 years ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆33Updated 3 weeks ago
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆61Updated this week
- The Element Movers Distance for chemical composition similarity☆36Updated 7 months ago
- A program to automatically generate volcano plots for catalysis.☆15Updated 11 months ago
- A graph database tool for experimental data in materials science and chemistry.☆19Updated 10 months ago
- A one-stop-shop for handling data in computational spectroscopy☆17Updated last week
- An ecosystem for digital reticular chemistry☆51Updated last year
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- A package for density functional approximation using machine learning.☆27Updated 5 years ago
- Agent-based sequential learning software for materials discovery☆63Updated last year
- Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs☆12Updated 2 months ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Updated last year
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆21Updated last month
- Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.☆19Updated last month
- ☆27Updated last year
- ☆20Updated last year
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Updated last year
- Python Package for electrochemical analysis☆24Updated 6 months ago
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆48Updated this week
- ☆17Updated 2 years ago
- Generative deep learning model for inorganic materials☆18Updated 2 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆19Updated 2 years ago