rafwiewiora

rafwiewiora's Stars

• jwasham/coding-interview-university

  A complete computer science study plan to become a software engineer.

  309k8.4k50777.4k

• mamba-org/mamba

  The Fast Cross-Platform Package Manager

  Language:C++7.1k461.8k370

• ml-tooling/best-of-python

  🏆 A ranked list of awesome Python open-source libraries and tools. Updated weekly.

  3.8k9611261

• asciimoo/drawille

  Pixel graphics in terminal with unicode braille characters

  Language:Python3.1k5427129

• scikit-learn-contrib/hdbscan

  A high performance implementation of HDBSCAN clustering.

  Language:Jupyter Notebook2.8k56515507

• agemagician/ProtTrans

  ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.

  Language:Jupyter Notebook1.2k32155155

• deeptime-ml/deeptime

  Python library for analysis of time series data including dimensionality reduction, clustering, and Markov model estimation

  Language:Python775227683

• aiqm/torchani

  Accurate Neural Network Potential on PyTorch

  Language:Python48030171131

• bjing2016/alphaflow

  AlphaFold Meets Flow Matching for Generating Protein Ensembles

  Language:Python39473351

• chemosim-lab/ProLIF

  Interaction Fingerprints for protein-ligand complexes and more

  Language:Python3801415172

• jonathanking/sidechainnet

  An all-atom protein structure dataset for machine learning.

  Language:Python34493538

• ml-struct-bio/cryodrgn

  Neural networks for cryo-EM reconstruction

  Language:Python3271328678

• drorlab/atom3d

  ATOM3D: tasks on molecules in three dimensions

  Language:Python304176235

• sha256feng/mldl-md-dynamics

  A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.

  30139054

• gjoni/trRosetta

  A package to predict protein inter-residue geometries from sequence data

  Language:Python208111345

• PatWalters/resources

  A Highly Opinionated List of Open Source Cheminformatics Resources

  18820026

• gnina/libmolgrid

  Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows

  Language:C++14598449

• jgreener64/mmterm

  View proteins and trajectories in the terminal

  Language:Python103438

• antmd/graph-tool

  graph-tool - Efficient network analysis

  Language:C++974115

• thorn-lab/coronavirus_structural_task_force

  Repository for the molecular structures related with Corona virusses and their re-processing

  Language:Python6318520

• PatWalters/workshop

  Language:Jupyter Notebook626131

• coarse-graining/cgnet

  learning coarse-grained force fields

  Language:Python58106726

• PatWalters/TS

  Thompson Sampling

  Language:Jupyter Notebook55929

• chopralab/lemon

  A framework for rapidly mining structural information from the Protein Data Bank

  Language:C++527912

• rinikerlab/Ensembler

  Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method development or to deepen understanding of a broad spectrum of modeling methods, from basic sampling techniques to enhanced sampling and free energy calculations. It is easy to install, fast, increases shareability, comparability, and reproducibility of scientific code developments.

  Language:Python517268

• GHDDI-AILab/Targeting2019-nCoV

  Information sharing portal about nCov/SARS/MERS for drug discovery

  Language:HTML388415

• bowman-lab/PopShift

  Language:Python7424

• ShuklaGroup/REAP-ReinforcementLearningBasedAdaptiveSampling

  Language:Python5302

• sukritsingh/cardsReader

  CARDS-Reader: Methods to analyze CARDS data

  Language:Python3231

• lenhsherr/chimerax_lovo

  automatic low order value optimization alignment for chimeraX

  Language:Jupyter Notebook1200