72 Open source projects that are alternatives of or similar to tilde

A plugin to AiiDA for running simulations with VASP

Deep and Machine Learning for Microscopy

Tools, utility, parsers useful in daily material science work

atomate2 is a library of computational materials science workflows

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

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

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

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

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

Python package to aid materials design

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

General purpose tools for high-throughput catalysis

Predict materials properties using only the composition information!

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

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

quick analysis of vasp calculation

Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code

An useful tool to submit your VASP job on HPC, manage your jobs and extract eneries...自动化VASP任务提交、计算结果提取，任务文件管理的工具

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

Applied Matematical Methods in Materials Engineering

Macromolecular viewer for crystallographers (WebGL)

X-ray diffraction data analysis for high pressure and high temperature experiments

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

Debye's scattering equation & other analysis of atomistic models.

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

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

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

Easily write cover letters for submitting your academic manuscripts

The CHiMaD Phase Field Community Website

Python modules for electron–phonon models

Unfolding the band structure of a supercell obtained with VASP

Olympus: a benchmarking framework for noisy optimization and experiment planning

Fermi surface generation, analysis and visualisation.

Roadmap to becoming an iOS developer in 2018.

Composite laminates engineering simulations in Python.

A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.

Tools for exploring reciprocal space

High Performance Computing Strategies for Boundary Value Problems

RHEOS - Open Source Rheology data analysis software

An Ontology for the Materials Design Domain

Toolbox for particulate microstructure modelling

An interactive structure/property explorer for materials and molecules

Electronic transport properties from first-principles calculations

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

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

High-Performance configuration patterns and recipes.

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

Codes for text-mined solid-state reactions dataset

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

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

my crystallographic toolbox

A framework for processing adsorption data and isotherm fitting

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

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

Deep learning for molecules and materials book

Public release of data and code for materials synthesis generation

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

Python Materials Discovery Framework

Benchmark Suite for Machine Learning Interatomic Potentials for Materials

Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure