50 Open source projects that are alternatives of or similar to pfhub

Phase field model for precipitate aging in ternary analogues to Ni-based superalloys

High Performance Computing Strategies for Boundary Value Problems

Olympus: a benchmarking framework for noisy optimization and experiment planning

Jekyll Theme package for your event

A plugin to AiiDA for running simulations with VASP

Repository for spectral neighbor analysis potential (SNAP) model development.

Jekyll theme based on Stylish Portfolio Bootstrap theme

Composite laminates engineering simulations in Python.

RHEOS - Open Source Rheology data analysis software

Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.

Scaffolding to start with a Jekyll website

⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode materials.

An interactive structure/property explorer for materials and molecules

A framework for processing adsorption data and isotherm fitting

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

Adaptive Mesh Phase-field Evolution

General purpose tools for high-throughput catalysis

Public release of data and code for materials synthesis generation

UF3: a python library for generating ultra-fast interatomic potentials

Deep and Machine Learning for Microscopy

Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.

Two-dimensional materials manufacturing system

A list of databases, datasets and books/handbooks where you can find materials properties for machine learning applications.

A high-performance framework for solving phonon and electron Boltzmann equations

Predict materials properties using only the composition information!

A Python package to work with material microstructures and 3d data sets

Legacy Jekyll project for my personal blog: fernandocejas.com.

Collection of ONCVPSP pseudopotentials for density-functional theory calculations

📝 One retentive zone of my personal learning and ​thought.

Jquery based plugin to help render and play youtube embed videos on an modal/overlay in your web apps. Responsive build.

Materials informatics framework for ab initio data repositories

Awesome list of jekyll website and awesome resources. Create a pull request and add your jekyll website!

My personal website. There are many like it, but this was mine. (2015-2018)

Python package to aid materials design

Deep learning for crystal-structure recognition and analysis of atomic structures

A customizable Jekyll Portfolio theme which supports blogging.

NequIP is a code for building E(3)-equivariant interatomic potentials

Codes for text-mined solid-state reactions dataset

An Ontology for the Materials Design Domain

DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages

A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".

Grantmakers.io is a free, open source project built to help nonprofits utilize the incredible IRS electronic 990-PF dataset.

Tools, utility, parsers useful in daily material science work

Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59

Applied Matematical Methods in Materials Engineering

🧮 An Open Source, Parallel and Heterogeneous Finite Element Analysis Framework

3D model exchange format with physical material properties for virtual development, test and validation of automated driving.

atomate2 is a library of computational materials science workflows

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

Electronic transport properties from first-principles calculations