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Shaochen Shi's Projects

abacus-develop icon abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

deepmd-kit icon deepmd-kit

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

dpdispatcher icon dpdispatcher

generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish

ecosystem icon ecosystem

Integration of TensorFlow with other open-source frameworks

ferminet icon ferminet

An implementation of the Fermionic Neural Network for ab-initio electronic structure calculations

gromacs icon gromacs

Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

jax-reaxff icon jax-reaxff

JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields

kfac icon kfac

An implementation of KFAC for TensorFlow

lightgbm icon lightgbm

A fast, distributed, high performance gradient boosting (GBT, GBDT, GBRT, GBM or MART) framework based on decision tree algorithms, used for ranking, classification and many other machine learning tasks.

lomap icon lomap

Alchemical mutation scoring map

mnistdemo icon mnistdemo

A WPF application for identifying the handwriting digit drawed using your mouse.

pbccrawler icon pbccrawler

一个简单的爬虫,抓取**人民银行官网货币政策司的公开市场业务交易公告。

singlevaluecube icon singlevaluecube

2016年本人的硕士毕业设计,基于Spark平台在TPC-DS数据集的表上生成Cube,表的度量值限定为一列且为末列。

tensorflow icon tensorflow

An Open Source Machine Learning Framework for Everyone

tpcdstransformer icon tpcdstransformer

2016年本人的硕士毕业设计,从TPC-DS数据集的表中提取多维数据。

xgboost icon xgboost

Scalable, Portable and Distributed Gradient Boosting (GBDT, GBRT or GBM) Library, for Python, R, Java, Scala, C++ and more. Runs on single machine, Hadoop, Spark, Flink and DataFlow

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