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yhuang-thu's Projects

adjusttext icon adjusttext

A small library for automatically adjustment of text position in matplotlib plots to minimize overlaps.

atomsk icon atomsk

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

cheatsheets-ai icon cheatsheets-ai

Essential Cheat Sheets for deep learning and machine learning researchers https://medium.com/@kailashahirwar/essential-cheat-sheets-for-machine-learning-and-deep-learning-researchers-efb6a8ebd2e5

colorcet icon colorcet

A set of useful perceptually uniform colormaps for plotting scientific data

ffmpeg icon ffmpeg

Mirror of https://git.ffmpeg.org/ffmpeg.git

fftool icon fftool

Tool to build force field input files for molecular simulation.

lammps icon lammps

Public development project of the LAMMPS MD software package

ligpargen icon ligpargen

Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.

ligpargen-1 icon ligpargen-1

A repository for tutorials and FAQ's about LigParGen

mdanalysis icon mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

mdtraj icon mdtraj

An open library for the analysis of molecular dynamics trajectories

mlp_neurosim_v2.0 icon mlp_neurosim_v2.0

Benchmark framework of synaptic device technologies for a simple neural network

moltemplate icon moltemplate

A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies

obs-studio icon obs-studio

OBS Studio - Free and open source software for live streaming and screen recording

oplsaa-db icon oplsaa-db

Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Gromacs, NAMD, CHARMM, LAMMPS, TINKER, CNS/X-PLOR, Q, DESMOND, BOSS and MCPRO.

pdfplumber icon pdfplumber

Plumb a PDF for detailed information about each char, rectangle, line, et cetera — and easily extract text and tables.

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