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3drismhi

The original release of 3DRISM-HI

algorithms

my reimplementation of popular computer science/machine learning algorithms

algorithms-1

:crystal_ball:Algorithm Visualizations

bgflow

Boltzmann Generators and Normalizing Flows in PyTorch

bufferkdtree

A Python library for large-scale nearest neigbhor computations via k-d trees and GPUs.

cwf_denoise

darkforestgo

DarkForest, the Facebook Go engine.

densitypeakcluster

A cluster framework for 'Clustering by fast search and find of density peaks' in science 2014.

facedetect

g_3drism

gogh

Color Scheme for Gnome Terminal and Pantheon Terminal

gpu_dbscan

GPU version of DBSCAN using FB's faiss

gromacs-2019-cwbsol

Gromacs 2019 with CWBSol method

gromacswrapper

GromacsWrapper is a python package that wraps system calls to Gromacs tools into thin classes. This allows for fairly seamless integration of the gromacs tools (v4.6.x, v5.x, and 2016.x, all with the same Python code) into python scripts.

hello

just a hello world test

hk_dataminer

kaggle-galaxies

Winning solution for the Galaxy Challenge on Kaggle (http://www.kaggle.com/c/galaxy-zoo-the-galaxy-challenge)

liusong299.github.io

LIU Song's website

ml-dbscan

Multi-Level DBSCAN: A Hierarchical Density-Based Clustering Method for Analyzing Molecular Dynamics Trajectories

mnist-competition

mnist competition submission repo for Tensorflow KR group

msmbuilder

Statistical models for biomolecular dynamics

msmbuilder-legacy

Legacy release of MSMBuilder

msmbuilder_codes_scripts

multi-objective-materials-design

This project aims to implement and compare various multi-objective optimization design strategies for materials discovery. These design strategies include Maximin, Centroid, Random, Pure Exploitation, and Pure Exploration.

nmslib

Non-Metric Space Library (NMSLIB): An efficient similarity search library and a toolkit for evaluation of k-NN methods for generic non-metric spaces.

pyemma

Emma's Markov Model Algorithms

pytorch_fcn_model

Pytorch_FCN_model

qml

QML: Quantum Machine Learning

simple-markdown-guide

Markdown简明语法教程

tail_reader