57 Open source projects that are alternatives of or similar to ESPEI

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

Deep and Machine Learning for Microscopy

Materials informatics framework for ab initio data repositories

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

Applied Matematical Methods in Materials Engineering

NeqSim is a library for calculation of fluid behavior, phase equilibrium and process simulation

邱锡鹏老师《神经网络与深度学习》一书参考视频及补充材料

atomate2 is a library of computational materials science workflows

Easily write cover letters for submitting your academic manuscripts

Roadmap to becoming an iOS developer in 2018.

This library tackles the construction and efficient execution of computational chemistry workflows

Toolbox for particulate microstructure modelling

🍀 A small collection of creative nodes to generate color palette and store values for Blender

Python Materials Discovery Framework

Repositório para organizar os materiais e entregas das disciplinas ministradas pelo Prof. Diogo Cezar, na UTFPR-CP em 2018/02.

A DEM toolkit for rapid simulation & quantitative analysis of granular systems

Benchmark Suite for Machine Learning Interatomic Potentials for Materials

Materials for the Practical Sessions of the Reinforcement Learning Summer School 2019: Bandits, RL & Deep RL (PyTorch).

Elementary Multiperspective Material Ontology (EMMO)

📓📲 Flutter app for managing study materials in form of photos.

Gas models, combustion and gas turbine solver.

DWSIM - Open Source Chemical Process Simulator, version 4

NeqSim is a library for calculation of fluid behavior, phase equilibrium and process simulation. This project is a Python interface to NeqSim.

Clapeyron (formerly OpenSAFT) provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.

Educational ipython source code for applied thermodynamics.

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

Electronic transport properties from first-principles calculations

The CHiMaD Phase Field Community Website

Olympus: a benchmarking framework for noisy optimization and experiment planning

A plugin to AiiDA for running simulations with VASP

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

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.

⚗️ 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.

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

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

Collection of ONCVPSP pseudopotentials for density-functional theory calculations

Python package to aid materials design

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

High Performance Computing Strategies for Boundary Value Problems

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".

Tools, utility, parsers useful in daily material science work