Pinned Repositories
abu
阿布量化交易系统(股票，期权，期货，比特币，机器学习) 基于python的开源量化交易，量化投资架构
ADMET_RNN
ADMET property prediction using recursive neural network.
ANI1x_datasets
The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for organic molecules.
bio_io
bioservices
Access to Biological Web Services from Python.
convnetjs
Deep Learning in Javascript. Train Convolutional Neural Networks (or ordinary ones) in your browser.
dask
Parallel computing with task scheduling
DecodingWater
DeepCell
openmm_orion
Cubes and Floes for using OpenMM in Orion
xianqiangsun's Repositories
xianqiangsun/ADMET_RNN
ADMET property prediction using recursive neural network.
xianqiangsun/ANI1x_datasets
The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for organic molecules.
xianqiangsun/bio_io
xianqiangsun/bioservices
Access to Biological Web Services from Python.
xianqiangsun/convnetjs
Deep Learning in Javascript. Train Convolutional Neural Networks (or ordinary ones) in your browser.
xianqiangsun/dask
Parallel computing with task scheduling
xianqiangsun/DeLinker
xianqiangsun/DrugAI
Generation and Classification of Drug Like molecule usings Neural Networks
xianqiangsun/FDA_Drug_Water
xianqiangsun/fep_script
xianqiangsun/fesetup
A tool for setting up free energy simulations.
xianqiangsun/Img2Mol
xianqiangsun/Lilly-Medchem-Rules
Implementation of Lilly Medchem Rules - J Med Chem 2012
xianqiangsun/Link-Prediction
链路预测学习代码整理
xianqiangsun/Machine-learning-meets-pKa
xianqiangsun/MDStudio_SMARTCyp
SMARTCyp site of metabolism prediction in MDStudio
xianqiangsun/molecular-design-toolkit
Notebook-integrated tools for molecular simulation and visualization
xianqiangsun/molmodel_legacy
xianqiangsun/MolTaut
MolTaut, a tool for the rapid generation of favorable states of drug-like molecules in water
xianqiangsun/oddt
Open Drug Discovery Toolkit
xianqiangsun/opentargets-py
Python client for the Open Targets REST API at targetvalidation.org
xianqiangsun/opentargets.github.io
Static Jekyll site for Open Targets Consortium
xianqiangsun/OPS_LinkedDataApi
A repository to host API configuration files, and code extensions
xianqiangsun/rdkit
The official sources for the RDKit library
xianqiangsun/seq2seq-signal-prediction
Signal prediction with a Sequence-to-Sequence (seq2seq) Recurrent Neural Network (RNN) model in TensorFlow
xianqiangsun/somdfreenrgbatch
Collection of scripts and protocols to setup, execute and analyse a batch of free energy calculations with somd-freenrg
xianqiangsun/TargetPred
In Silico Prediction of Novel Therapeutic Targets Using Gene – Disease Association Data
xianqiangsun/textract
extract text from any document. no muss. no fuss.
xianqiangsun/torchani
Accurate Neural Network Potential on PyTorch
xianqiangsun/xianqiangsun.github.io