yinkaaiwu

yinkaaiwu's Stars

• pgvector/pgvector

  Open-source vector similarity search for Postgres

  Language:C12k93581548

• guofei9987/scikit-opt

  Genetic Algorithm, Particle Swarm Optimization, Simulated Annealing, Ant Colony Optimization Algorithm,Immune Algorithm, Artificial Fish Swarm Algorithm, Differential Evolution and TSP(Traveling salesman)

  Language:Python5.2k46178987

• facebookincubator/submitit

  Python 3.8+ toolbox for submitting jobs to Slurm

  Language:Python1.3k24118120

• fossfreedom/indicator-sysmonitor

  Ayatana application indicator to show various system parameters - Debian and Ubuntu

  Language:Python7211410899

• epam/ketcher

  Web-based molecule sketcher

  Language:TypeScript470363k164

• jkitchin/vasp

  New ASE compliant Python interface to VASP

  Language:Python122203658

• amq92/simple_slurm

  A simple Python wrapper for Slurm with flexibility in mind.

  Language:Python11732017

• chenruduan/OAReactDiff

  An object-aware diffusion model for generating chemical reactions

  Language:Python1002522

• elcorto/pwtools

  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.

  Language:Python639912

• ulissigroup/vasp-interactive

  Language:Jupyter Notebook5843212

• cagrikymk/JAX-ReaxFF

  JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields

  Language:Python5661923

• yilinyang1/NN-ensemble-relaxer

  Local geometry optimizer for molecules and crystals based on active learning with neural network ensemble

  Language:Jupyter Notebook16254

• LonxunQuantum/PWMLFF

  Language:Fortran15137

• usuaero/Optix

  Python Gradient-Based Optimization Tool

  Language:Python10913

• bccm1234/web-server

  CO2 catalyst database fe demo 1.0

  Language:Vue4100

• ImanAhm/Gradient-Based-Optimizer-GBO-

  A new metaheuristic optimization algorithm

  Language:MATLAB21