xradvincula

xradvincula's Stars

• lukas-blecher/LaTeX-OCR

  pix2tex: Using a ViT to convert images of equations into LaTeX code.

  Language:Python11.4k953

• materialsproject/atomate2

  atomate2 is a library of computational materials science workflows

  Language:Python14180

• keldLundgaard/ase-anharmonics

  Uncoupled mode analysis for ASE (atomic simulation environment)

  Language:Python32

• matplotlib/cheatsheets

  Official Matplotlib cheat sheets

  Language:Python7.3k884

• QMCPACK/qmc_workshop_2021

  Files for QMC Workshop 2021

  Language:Python5312

• skblnw/mkvmd_render

  How to make images for publication using VMD

  222

• dspoel/Toy-MD

  Python code for learning Molecular Dynamics simulations

  Language:Python5223

• kdfong/transport-coefficients-MSD

  Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.

  Language:Jupyter Notebook194

• flt17/confined-water-analysis

  Scripts to analyse MD trajectories of pure water as well as confined in nanotubes or by flat sheets (graphene, hBN)

  Language:Python24

• tmpchem/computational_chemistry

  Files used in TMP Chem videos on computational chemistry

  Language:Python20991

• FlorianMarquardt/machine-learning-for-physicists

  Code for "Machine Learning for Physicists" lecture series by Florian Marquardt

  Language:Jupyter Notebook251150

• CompPhysVienna/MLSummerSchoolVienna2022

  ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"

  Language:Jupyter Notebook3422

• OndrejMarsalek/water-orientation-dynamics

  Analysis of molecular dynamics trajectories - orientational structure and dynamics of water around solutes

  Language:C++52

• semacu/20171024_GitHub_Chemistry_Cambridge

  22

• materialsproject/workshop

  The Materials Project Workshop Curriculum

  Language:Jupyter Notebook110128

• materialsvirtuallab/matgenb

  Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

  Language:Jupyter Notebook212140

• Cimbali/pympress

  Pympress is a simple yet powerful PDF reader designed for dual-screen presentations

  Language:Python1.1k85

• pyscf/pyscf

  Python module for quantum chemistry

  Language:Python1.2k562

• mme-ucl/confined_LLPS

  Scripts and notebooks used to analyse experiments and simulations of LLPS in confined volumes

  Language:Jupyter Notebook3

• venkatkapil24/n2p2

  n2p2 - A Neural Network Potential Package

  Language:C++1

• venkatkapil24/data-monolayer-confined-water-phase-diagram

  Scripts, codes, and initial structures required to reproduce the phase diagram of monolayer nanoconfined water.

  Language:Python92

• janosh/pymatviz

  A toolkit for visualizations in materials informatics.

  Language:Python14513

• daleroberts/itermplot

  An awesome iTerm2 backend for Matplotlib, so you can plot directly in your terminal.

  Language:Python1.5k51

• venkatkapil24/spyss

  Stochastic Pythonic Structure Search (SPySS)

  Language:Python11

• Chengcheng-Xiao/DFT_vim_syntax

  My vim syntax hightlight for DFT packages

  Language:Vim script5

• castep-docs/castep-docs

  Language:TeX1220

• wannier-developers/wannier-tutorials

  A repository hosting materials used during Wannier-related tutorials and schools

  Language:Jupyter Notebook3831

• Chengcheng-Xiao/Tools

  DFT post processing tools

  Language:Python2312

• kyleneideck/BackgroundMusic

  Background Music, a macOS audio utility: automatically pause your music, set individual apps' volumes and record system audio.

  Language:C++15.6k662

• pilliq/dotfiles

  Language:Vim Script4