Jupyter Book source files for 2022 MSD summer research internship.
☆14Jul 10, 2023Updated 3 years ago
Alternatives and similar repositories for mi-book-2022
Users that are interested in mi-book-2022 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆12Sep 21, 2026Updated last month
- Jupyter Book source files for MSD summer research internship.☆23Jul 6, 2023Updated 3 years ago
- This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …☆12May 9, 2024Updated 2 years ago
- Helpers for working with pymatgen structure graphs.☆11Feb 4, 2025Updated last year
- ☆11Dec 10, 2023Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Create new MOFs by combining generative AI and simulation on HPC☆29May 30, 2026Updated 5 months ago
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Updated this week
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- ☆18Mar 24, 2025Updated last year
- A graphical user interface for LobsterPy☆20Nov 8, 2025Updated 11 months ago
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆19Updated this week
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 3 years ago
- ☆20May 7, 2024Updated 2 years ago
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆18Jun 5, 2023Updated 3 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Python package to simulate differential absorption spectra of crystals from first principles☆34Dec 21, 2025Updated 10 months ago
- Library for Crystal Symmetry in Rust☆84Updated this week
- ⚛ download and manipulate atomistic datasets☆49Nov 25, 2025Updated 11 months ago
- ☆15Updated this week
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆27Sep 1, 2022Updated 4 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆15Nov 18, 2024Updated last year
- Lesson material for VASP best practices workshop☆13Apr 18, 2024Updated 2 years ago
- A graph database tool for experimental data in materials science and chemistry.☆20Jan 7, 2025Updated last year
- Source code for the https://workflows.community website☆17Updated this week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A software for automating materials science computations☆40Aug 25, 2026Updated 2 months ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Oct 9, 2026Updated 3 weeks ago
- Crystal structure inpainting☆14Aug 10, 2026Updated 2 months ago
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆36Dec 8, 2022Updated 3 years ago
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆43Updated this week
- ☆14Mar 19, 2025Updated last year
- Python package to analyse the structural dynamics of perovskites☆57Aug 15, 2026Updated 2 months ago
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 3 years ago
- Interactive comparison of the same quantum espresso workflow implemented in Aiida, jobflow, pyiron and simstack.☆11May 16, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 8 months ago
- ☆11Sep 18, 2024Updated 2 years ago
- A Working Group on connecting and advancing interoperability of efforts on automated extraction of metadata from materials and chemical f…☆14Nov 19, 2025Updated 11 months ago
- A collection of files related to machine learning force fields☆25Oct 25, 2023Updated 3 years ago
- Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.☆36Updated this week
- Automation software for calculating anharmonic phonon properties☆30Oct 29, 2026Updated last week
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆30Jan 16, 2024Updated 2 years ago