Python package for uncertainty quantification in CALPHAD
☆12Dec 2, 2024Updated last year
Alternatives and similar repositories for pduq
Users that are interested in pduq are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Scheil-Gulliver simulation tool using pycalphad.☆26Mar 2, 2026Updated 3 weeks ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 2 years ago
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆80Mar 2, 2026Updated 3 weeks ago
- Open-source python package for multicomponent multiphase equilibrium CALPHAD calculations☆27Jan 7, 2026Updated 2 months 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
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- 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
- Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (…☆24Jan 20, 2026Updated 2 months ago
- Training materials☆21Dec 3, 2019Updated 6 years ago
- nim Composition Space Optimization is a high-performance tool leveraging metaprogramming to implement several methods for selecting compo…☆24Feb 21, 2026Updated last month
- NIM simPLEX: A concise scientific Nim library (with CLI and Python binding) providing samplings, uniform grids, and traversal graphs in c…☆21Oct 25, 2025Updated 5 months ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆14Jan 31, 2025Updated last year
- OpenIEC: An open-source code for interfacial energy calculation in alloys☆38Dec 2, 2023Updated 2 years ago
- Utility scripts and programs for VASP calculations☆21Feb 16, 2026Updated last month
- The CHiMaD Phase Field Community Website☆64Aug 15, 2025Updated 7 months ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- plug-n-play black box optimizer for high-throughput computing☆51Mar 8, 2023Updated 3 years ago
- An extensible library of tools that extract metadata from scientific files☆15Jan 9, 2023Updated 3 years ago
- Additive Manufacturing - Common Data Model☆18Mar 8, 2026Updated 2 weeks ago
- Tightly packed 1d and 2d bit arrays.☆13Nov 25, 2025Updated 4 months ago
- Command line interface for MDAnalysis☆23Jan 23, 2026Updated 2 months ago
- A toolkit for automatic calculation and analysis of elastic constants☆14Jun 11, 2025Updated 9 months ago
- An experiment in trying to define a core and cleaned-up NumPy API: RNumPy☆13Feb 19, 2021Updated 5 years ago
- Accelerated design for high entropy alloys based on machine learning and multi-objective optimization☆12Dec 27, 2023Updated 2 years ago
- Very fast CBOR for Nim☆26Nov 20, 2025Updated 4 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Pandas equivalent, high-performance dataframe library☆27Nov 11, 2025Updated 4 months ago
- Open Calphad, thermodynamic calculation code☆226Mar 14, 2026Updated last week
- Differentiable Spline Approximations☆14Sep 3, 2023Updated 2 years ago
- Simple (but limited) literate programming tool written in Nim☆11Mar 31, 2024Updated last year
- Differentiable non-uniform interpolation: https://arxiv.org/abs/2012.13257☆10Oct 3, 2021Updated 4 years ago
- Wave function collapse library for Nim☆15Nov 19, 2022Updated 3 years ago
- Lennard-Jones Molecular Dynamics for beginners☆15Sep 20, 2021Updated 4 years ago
- Probabilistic Response mOdel Fitting with Interactive Tools☆15Mar 16, 2026Updated last week
- Various bash scripts to aid the use of the quantum chemistry software package Gaussian 09.☆15May 1, 2019Updated 6 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations☆16Nov 28, 2023Updated 2 years ago
- A software for mapping energy landscape with a variety of methods, using classical potentials. Based on the LAMMPS MD package.☆11Jan 29, 2021Updated 5 years ago
- Worked on a dataset of high entropy alloys which is used to design materials for additive manufacturing. Being responsible for Performing…☆18Aug 20, 2022Updated 3 years ago
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆22Aug 27, 2024Updated last year
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- Neural Network Crystal Synthesizability Predictor (NNCSP)☆11Aug 29, 2024Updated last year
- Materials Knowledge System in Python☆121Jan 12, 2023Updated 3 years ago