Advanced data SCiEnce toolkit for Non-Data scientists
☆68Apr 14, 2026Updated this week
Alternatives and similar repositories for ASCENDS
Users that are interested in ASCENDS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 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
- This repository will house information and code examples of pulling thermodynamic data from metal alloy systems from the NIST alloy data …☆12Jun 2, 2022Updated 3 years ago
- Run and manage EMTO-DFT calculations easily with this Python package☆13Jan 10, 2021Updated 5 years ago
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 3 years ago
- Specification of a common REST API for access to materials databases☆105Feb 6, 2026Updated 2 months ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- A python package for working with crystal orientations in TEM☆14Jun 16, 2025Updated 10 months ago
- ☆12Updated this week
- Accelerated design for high entropy alloys based on machine learning and multi-objective optimization☆12Dec 27, 2023Updated 2 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆22Oct 15, 2024Updated last year
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- A tool for finding optimized SQS structures tool written in C++☆66Apr 7, 2026Updated last week
- A suite of computational materials science tools.☆144Apr 3, 2024Updated 2 years ago
- Software to simulate heat transfer for additive manufacturing☆53Apr 1, 2026Updated 2 weeks ago
- Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (…☆24Jan 20, 2026Updated 2 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- [NPJ Com Mat 2023 | Small 2024] Machine Learning Algorithm : outlier identifying, feature selection☆14Jan 21, 2026Updated 2 months ago
- ☆12Aug 8, 2021Updated 4 years ago
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆13Aug 23, 2021Updated 4 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆54Mar 20, 2024Updated 2 years ago
- Implementation of STN (Spatial Transformer Network) and ICSTN (Inverse Compositional Spatial Transformer Networks) in Tensorlayer to pred…☆15Dec 6, 2021Updated 4 years ago
- Semiemperical quasiharmonic thermal elasticity☆21Dec 10, 2025Updated 4 months ago
- Modules for generating nanoscale+ atomic scenes, primarily using pymatgen as generators with S/TEM image simulation in mind☆16Mar 5, 2025Updated last year
- Band alignment plotting tool☆26Mar 28, 2025Updated last year
- ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials☆55Sep 18, 2025Updated 6 months ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Modules for cross validation, evaluation and plot of SISSO☆16Oct 22, 2019Updated 6 years ago
- ☆25Apr 15, 2025Updated last year
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Apr 9, 2026Updated last week
- A tool for plotting phonon dispersion curves and phonon density of states.☆11Oct 1, 2020Updated 5 years ago
- Defect analysis modules for pymatgen☆63Apr 6, 2026Updated last week
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Jul 13, 2023Updated 2 years ago
- ☆14Jul 13, 2022Updated 3 years ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Aug 26, 2025Updated 7 months ago
- MAterials Simulation Toolkit for Machine Learning (MAST-ML)☆127Oct 10, 2025Updated 6 months ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆13Nov 16, 2022Updated 3 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 2 years ago
- 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
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Aug 6, 2021Updated 4 years ago
- plug-n-play black box optimizer for high-throughput computing☆52Mar 8, 2023Updated 3 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
- Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats☆28Jan 9, 2026Updated 3 months ago