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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

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

delinker

driverepoch

全端项目-汽车服务app「iOS」端

drnns-prediction

Deep Recurrent Neural Networks (RNNs) for Time-Series Prediction

drugai

Generation and Classification of Drug Like molecule usings Neural Networks

fda_drug_water

fep_script

fesetup

A tool for setting up free energy simulations.

finsymbols

Obtains stock symbols and relating information for SP500, AMEX, NYSE, and NASDAQ

flashtext

Extract Keywords from sentence or Replace keywords in sentences.

foyer

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

img2mol

intermol

Conversion tool for molecular simulations

lantern

🔴Lantern Latest Download https://github.com/getlantern/lantern/releases/tag/latest 🔴蓝灯最新版本下载 https://github.com/getlantern/forum/issues/833 🔴

lilly-medchem-rules

Implementation of Lilly Medchem Rules - J Med Chem 2012

link-prediction

链路预测学习代码整理

machine-learning-meets-pka

mdstudio_smartcyp

SMARTCyp site of metabolism prediction in MDStudio

mdtraj

A modern, open library for the analysis of molecular dynamics trajectories

medic

a Python 3 command-line tool to maintain a DB mirror of MEDLINE (https://pypi.python.org/pypi/medic) - ALERT: As I have moved out of science and am working as a consultant now, this project might need a new maintainer once PubMed changes its XML format. Heroes?

mmtk

source from and created by https://bitbucket.org/khinsen/mmtk