ml-evs / this-material-does-not-existLinks
Vote on whether you think predicted crystal structures could be synthesised
☆18Updated last year
Alternatives and similar repositories for this-material-does-not-exist
Users that are interested in this-material-does-not-exist are comparing it to the libraries listed below
Sorting:
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆13Updated 2 months ago
- Encoding chemistry to interpret crystallographic data☆27Updated this week
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Updated 7 months ago
- Tools for machine learnt interatomic potentials☆39Updated this week
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- A software for automating materials science computations☆33Updated 3 weeks ago
- ☆17Updated 7 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 11 months ago
- A collection of files related to machine learning force fields☆22Updated 2 years ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆18Updated last year
- ☆26Updated last year
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆32Updated last year
- Alchemical machine learning interatomic potentials☆31Updated last year
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆30Updated last week
- A fully featured ASE calculator for xTB☆21Updated last year
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Updated last year
- Charge equilibration method for crystal structures☆14Updated 2 years ago
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆12Updated 2 years ago
- ☆24Updated 2 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆38Updated 3 weeks ago
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆17Updated 2 years ago
- An ecosystem for digital reticular chemistry☆51Updated last year
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Updated 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
- Chemical intuition for surface science in a package.☆44Updated last month
- An overview over chemical datasets and where to find them☆17Updated 2 years ago
- This repository contains the official PyTorch implementation of MatRIS.☆15Updated last week
- Moment Invariants Local Atomic Descriptor☆33Updated last year
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆27Updated last year