nimsos-dev / nimsosLinks
☆19Updated 3 weeks ago
Alternatives and similar repositories for nimsos
Users that are interested in nimsos are comparing it to the libraries listed below
Sorting:
- ☆27Updated 3 years ago
- ☆45Updated 2 weeks ago
- Atomistic simulation hands on tutorial on Matlantis☆58Updated 2 months ago
- COMBO for Python 3☆34Updated 2 years ago
- Automated crystal structure analysis based on blackbox optimisation☆33Updated 11 months ago
- Live Debian GNU/Linux System for MateriApps Applications☆57Updated last week
- 分子動力学法の理論と実装(集中講義ノート)☆31Updated 4 months ago
- XenonPy is a Python Software for Materials Informatics☆144Updated last year
- PHYSBO -- optimization tools for PHYsics based on Bayesian Optimization☆80Updated this week
- 「機械学習による分子最適化」のサポートページ☆12Updated last year
- ☆11Updated 8 months ago
- A tool for generating unique ordered structures corresponding to a given disordered structure.☆17Updated last year
- Efficient phase diagram construction based on uncertainty sampling☆14Updated 3 years ago
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Updated 2 years ago
- Generative deep learning model for inorganic materials☆18Updated 2 years ago
- 「化学のためのPythonによるデータ解析・機械学習入門」サンプルプログラム☆60Updated 6 months ago
- Computing anomalous Hall conductivity in OpenMX☆11Updated 2 weeks ago
- COMmon Bayesian Optimization☆156Updated 4 years ago
- 分子動力学法ステップ・バイ・ステップ☆16Updated 5 years ago
- Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters☆16Updated last year
- Japanese translation of "Deep learning for molecules and materials book"☆16Updated 3 years ago
- pytorch implementation of dftd2 & dftd3 (not actively maintained)☆84Updated 10 months ago
- Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs☆12Updated last month
- Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.☆18Updated 3 weeks ago
- CrySPY is a crystal structure prediction tool written in Python.☆140Updated this week
- AlabOS: Managing the workflows in the Autonomous lab☆46Updated 2 months ago
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆211Updated 8 months ago
- ☆16Updated 3 years ago
- Materials Design by Monte Carlo Tree Search☆35Updated 3 years ago
- A trainable Binary Quadratic Model (BQM) as a Factorization Machine (FM)☆23Updated 2 years ago