salinelake

salinelake's Stars

• Lightning-AI/pytorch-lightning

  Pretrain, finetune and deploy AI models on multiple GPUs, TPUs with zero code changes.

  Language:Python28k2477.1k3.4k

• James-Yu/LaTeX-Workshop

  Boost LaTeX typesetting efficiency with preview, compile, autocomplete, colorize, and more.

  Language:TypeScript10.6k583.1k525

• hainguyents13/mechvibes

  Mechvibes

  Language:JavaScript1.5k19272165

• pyscf/pyscf

  Python module for quantum chemistry

  Language:Python1.2k791.4k565

• jcmgray/quimb

  A python library for quantum information and many-body calculations including tensor networks.

  Language:Python48018162107

• plumed/plumed2

  Development version of plumed 2

  Language:C++35233595281

• choderalab/openmmtools

  A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

  Language:Python2443836676

• i-pi/i-pi

  i-PI: a universal force engine

  Language:Python2201577117

• molmod/openmm-tutorial-msbs

  OpenMM tutorial for the MSBS course

  Language:Jupyter Notebook14151046

• beautiful-atoms/beautiful-atoms

  Python module for drawing and rendering beautiful atoms and molecules using Blender.

  Language:Python13638224

• richard-evans/vampire

  Atomistic simulator for magnetic materials

  Language:C++122234094

• tgmattso/OpenMP_intro_tutorial

  The repository holds the exercises and solutions for my online OpenMP tutorial series

  Language:C1194154

• spirit-code/spirit

  Atomistic Spin Simulation Framework

  Language:C++1181556452

• UppASD/UppASD

  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.

  Language:Fortran81164039

• SunnySuite/Sunny.jl

  Spin dynamics and generalization to SU(N) coherent states

  Language:Julia80910119

• deepmodeling/dflow

  Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows as the workflow engine.

  Language:Python6213525

• SSAGESLabs/PySAGES

  Python Suite for Advanced General Ensemble Simulations

  Language:Python6286625

• henriasv/lammps-logfile

  Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.

  Language:Python522108

• dalcorso/thermo_pw

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

  Language:Fortran4912818

• henryiii/python-compiled-minicourse

  PRC MiniCourse

  Language:C++28402

• caizefeng/deltaspin

  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP

  Language:Shell23315

• lin-lin/Quantum290

  290 seminar for 2020 fall - 2021 summer

  222

• CSIprinceton/workshop-july-2023

  Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023

  Language:Jupyter Notebook154014

• choderalab/kinase-metadynamics

  To run metadynamics simulations using openMM (based on Peter Eastman's script)

  Language:Python11213

• tgmattso/ParProgCourse

  This repository is used for a variety of parallel programming courses, typically emphasizing OpenMP

  Language:C11303

• salinelake/AIGLETools

  Multi-dimensional (generalized) Langevin equation

  Language:Python60

• CSIprinceton/CSI-hacks-and-tricks

  This repository contains information for compiling and running software connected to the CSI project

  Language:Shell5702

• iceplussss/QSAR-Complete

  QComp: A robust, interpretable, non-iterative data completion framework for sparse datasets in drug discovery.

  Language:Jupyter Notebook4

• y1xiaoc/deepmd-plumed

  using deepmd models as CVs in plumed

  Language:C++3202

• salinelake/removing_tedium

  Language:Shell2100