plug-n-play black box optimizer for high-throughput computing
☆52Mar 8, 2023Updated 3 years ago
Alternatives and similar repositories for rocketsled
Users that are interested in rocketsled are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Generative deep learning model for inorganic materials☆20Mar 24, 2023Updated 3 years ago
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Jul 15, 2020Updated 5 years ago
- Automatic generation of crystal structure descriptions.☆134Updated this week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Jul 18, 2024Updated last year
- An automatic engine for predicting materials properties.☆169Nov 12, 2023Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆15Jan 22, 2019Updated 7 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 2 years ago
- The Fireworks Workflow Management Repo.☆424Apr 3, 2026Updated last week
- This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical prop…☆11Oct 31, 2024Updated last year
- This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.☆13Feb 22, 2022Updated 4 years ago
- Python package for uncertainty quantification in CALPHAD☆12Dec 2, 2024Updated last year
- OpenIEC: An open-source code for interfacial energy calculation in alloys☆38Dec 2, 2023Updated 2 years ago
- Course repository for 06-623☆13Mar 31, 2020Updated 6 years ago
- Electronic transport properties from first-principles calculations☆158Mar 16, 2026Updated 3 weeks ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…☆12Oct 1, 2020Updated 5 years ago
- Make periodic table map plots and pettifor-style trend plots.☆28Apr 9, 2018Updated 8 years ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Jul 13, 2023Updated 2 years ago
- BoundLess Objective-free eXploration (BLOX) for discovery of out-of-trend materials☆25May 28, 2020Updated 5 years ago
- Inorganic Reaction Prediction☆11Jul 25, 2024Updated last year
- Collective atomic modulation analysis with irreducible space-group representation☆18Apr 3, 2026Updated last week
- ☆19Oct 24, 2018Updated 7 years ago
- A software to calculate thermal conductivity quickly and accurately☆38Feb 20, 2020Updated 6 years ago
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 3 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Course materials for NANO 106 - Crystallography of Materials☆36Feb 19, 2026Updated last month
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Dec 22, 2023Updated 2 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- Sorting libraries for pyculib☆14Aug 22, 2018Updated 7 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- High-Throughput Computational Physics Framework☆13Oct 25, 2017Updated 8 years ago
- Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics☆26Aug 26, 2022Updated 3 years ago
- Data mining for materials science☆578Mar 30, 2026Updated last week
- LAMMPS plugin for AiiDA☆28Updated this week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆108Aug 4, 2024Updated last year
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 2 years ago
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆23Mar 3, 2023Updated 3 years ago
- A Python library for reading and writing Wannier90 files☆17May 30, 2024Updated last year
- A Scheil-Gulliver simulation tool using pycalphad.☆26Mar 2, 2026Updated last month
- This code contributes to predict any properties (heat of formation and crystal data) from a DFT learning database by a supervised machine…☆10Aug 25, 2021Updated 4 years ago
- PinNUTS🥜 is dynamic Hamiltonian Monte Carlo algorithm implemented in Python☆11Feb 7, 2020Updated 6 years ago