ziyuanzhao2000

ziyuanzhao2000's Stars

• akamaster/pytorch_resnet_cifar10

  Proper implementation of ResNet-s for CIFAR10/100 in pytorch that matches description of the original paper.

  Language:Python1.2k332

• jingraham/neurips19-graph-protein-design

  Generative Models for Graph-Based Protein Design

  Language:Python26257

• pymc-devs/pymc

  Bayesian Modeling and Probabilistic Programming in Python

  Language:Python8.7k2k

• matt-graham/mici

  Manifold Markov chain Monte Carlo methods in Python

  Language:Python22327

• moldyn/HP35-DESRES

  DESRES trajectory of wild type HP-35 at 360K

  5

• DEShawResearch/Technical-Reports

  D. E. Shaw Research Technical Reports

  12

• choderalab/perses

  Experiments with expanded ensembles to explore chemical space

  Language:Python18151

• openforcefield/openff-interchange

  A project (and object) for storing, manipulating, and converting molecular mechanics data.

  Language:Python7123

• openforcefield/polymer_examples

  Example polymers for testing.

  Language:Jupyter Notebook73

• openforcefield/openff-toolkit

  The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

  Language:Python31993

• MCompChem/fep-benchmark

  Benchmark set for relative free energy calculations.

  10032

• Degiacomi-Lab/biobox

  a toolbox for the manipulation, modelling and analysis of molecular structures

  Language:Python247

• choderalab/openmmtools

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

  Language:Python25481

• suzannepk/hands-on-with-summit

  Setup for Summit

  Language:Python22

• olcf/hands-on-with-summit

  Language:C3426

• deepmodeling/deepmd-kit

  A deep learning package for many-body potential energy representation and molecular dynamics

  Language:C++1.5k517

• HannesStark/EquiBind

  EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

  Language:Python482109

• octavian-ganea/equidock_public

  EquiDock: geometric deep learning for fast rigid 3D protein-protein docking

  Language:Roff23358

• jrfonseca/gprof2dot

  Converts profiling output to a dot graph.

  Language:Python3.2k386

• jabeim/AB-Generic-Python-Toolbox

  A toolbox for simulating cochlear implant signal processing and the perception of sound by implant recipients.

  Language:Python2117

• MolSSI-MDI/MDI_Library

  A library that enables code interoperability via the MolSSI Driver Interface.

  Language:C3211

• POVME/POVME3

  A pocket volume analyzer for use in protein modeling.

  Language:Python489

• openmm/openmm

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

  Language:C++1.5k526

• mosdef-hub/foyer

  A package for atom-typing as well as applying and disseminating forcefields

  Language:Python12178

• atoms-ufrj/atomsmm

  AtomsMM is an OpenMM customization for the ATOMS group at UFRJ/Brazil

  Language:Python84

• molmod/openmm-tutorial-msbs

  OpenMM tutorial for the MSBS course

  Language:Jupyter Notebook14844

• mmcdermott/structure_preserving_pre-training

  Code for structure preserving pre-training

  Language:Jupyter Notebook8

• harkash/contrastive-predictive-coding-for-har

  Implementation of Contrastive Predictive Coding for Human Activity Recognition

  Language:Python256

• facebookresearch/Detectron

  FAIR's research platform for object detection research, implementing popular algorithms like Mask R-CNN and RetinaNet.

  Language:Python26.3k5.5k

• Ma-Lab-Berkeley/MCR2

  Language:Python7923