apallath

apallath's Stars

• hakimel/reveal.js

  The HTML Presentation Framework

  Language:JavaScript68k1.7k2.4k16.7k

• streamlit/streamlit

  Streamlit — A faster way to build and share data apps.

  Language:Python36k3204.7k3.1k

• missing-semester/missing-semester

  The Missing Semester of Your CS Education 📚

  Language:CSS5k47291.2k

• jbhuang0604/awesome-tips

  3.5k994196

• eugeneyan/ml-surveys

  📋 Survey papers summarizing advances in deep learning, NLP, CV, graphs, reinforcement learning, recommendations, graphs, etc.

  2.8k1542289

• openmm/openmm

  OpenMM is a toolkit for molecular simulation using high performance GPU code.

  Language:C++1.5k832.8k526

• duerrsimon/bioicons

  A library of free open source icons for science illustrations in biology and chemistry

  Language:Vue1.4k174777

• MDAnalysis/mdanalysis

  MDAnalysis is a Python library to analyze molecular dynamics simulations.

  Language:Python1.3k412.3k653

• 3dmol/3Dmol.js

  WebGL accelerated JavaScript molecular graphics library

  Language:Jupyter Notebook81930482195

• YoshitakaMo/localcolabfold

  ColabFold on your local PC

  Language:Python62012262137

• whitead/dmol-book

  Deep learning for molecules and materials book

  Language:Jupyter Notebook61816158121

• torchmd/torchmd

  End-To-End Molecular Dynamics (MD) Engine using PyTorch

  Language:Python575162876

• openmm/pdbfixer

  PDBFixer fixes problems in PDB files

  Language:Python49813200117

• pablo-arantes/making-it-rain

  Cloud-based molecular simulations for everyone

  Language:Rich Text Format39617123107

• streamlit/demo-uber-nyc-pickups

  A Streamlit demo to interactively visualize Uber pickups in New York City

  Language:Python3182616360

• Discngine/fpocket

  fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and extract pocket descriptors on a large scale level. fpocket is distributed as free open source software. If you are interested in integrating fpocket in an industrial setting and require official support, please contact Discngine (www.discngine.com).

  Language:C3002611861

• choderalab/software-development

  A primer on software development best practices for computational chemistry

  262267579

• m3g/packmol

  Packmol - Initial configurations for molecular dynamics simulations

  Language:Fortran230135052

• openmm/openmm-torch

  OpenMM plugin to define forces with neural networks

  Language:C++185119424

• Pipe-Runner-Lab/sample_cmake

  This repo is to understand the working of cmake and make in a C++ project

  Language:Makefile722220

• tiwarylab/LSTM-predict-MD

  Learning Molecular Dynamics with Simple Language Model built upon Long Short-Term Memory Neural Network

  Language:Jupyter Notebook42414

• tiwarylab/RAVE

  Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE)

  Language:Python42423

• openmm/openmm-tensorflow

  OpenMM plugin to define forces with neural networks

  Language:C++318136

• tiwarylab/State-Predictive-Information-Bottleneck

  Language:Jupyter Notebook23100

• wesbarnett/trappeua

  GROMACS implementation of TraPPE-UA force field with HH-Alkane modifications

  11307

• paperfetcher/paperfetcher

  Pip-installable Python package to automate handsearching and citation searching for systematic reviews.

  Language:Python103152

• csukuangfj/blas-lapack-in-c-cplusplus

  Examples of using BLAS and Lapack in C and C++

  Language:C++7203

• paperfetcher/paperfetcher-web-app

  Automate handsearching and citation searching for your systematic reviews.

  Language:Python7113

• adamripley98/pgcc

  Newly revamped website for Penn Graduate Consulting Club

  Language:JavaScript1102

• seanmarks/wham

  UWHAM implemented using log-likelihood maximization with dlib

  Language:C++1100