Awesome Open Source
Search
Programming Languages
Languages
All Categories
Categories
About

Search results for optimization chemistry

chemistry x
optimization x
12 search results found
Quantum ⭐ 456
Molpal ⭐ 117
active learning for accelerated high-throughput virtual screening
Summit ⭐ 92
Optimising chemical reactions using machine learning
Pysisyphus ⭐ 73
Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
Olympus ⭐ 72
Olympus: a benchmarking framework for noisy optimization and experiment planning
Moldqn Pytorch ⭐ 40
A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".
Gryffin ⭐ 21
Readuct ⭐ 16
Chemtools ⭐ 16
Python tools for quantum chemical calculations
Tccl Code ⭐ 9
Code and scripts for theoretical and computational chemistry, developed in TCCL, Department of Chemistry, Tsinghua University. These scripts read the out put of ADF, CP2K, Dmol3, Gaussian, NWChem, Molpro program.
Cvqe ⭐ 5
Quantum snake algorithm: Collective variational quantum eigensolvers for quantum chemistry
Navicatga ⭐ 5
A flexible Genetic Algorithm Optimizer for the NaviCat project.
Related Searches
Python Optimization (2,368)
C Plus Plus Optimization (860)
Algorithms Optimization (824)
Jupyter Notebook Optimization (715)
Matlab Optimization (651)
Javascript Optimization (642)
Python Chemistry (486)
1-12 of 12 search results
Privacy | About | Terms | Follow Us On Twitter

Copyright 2018-2024 Awesome Open Source.  All rights reserved.