fylinhub

rdkit_blog

RDKit related blog posts, notebooks, and data.

RL-Zoo

Implementations of Reinforcement Learning Algorithm

learn

applied-reinforcement-learning

Reinforcement Learning and Decision Making tutorials explained at an intuitive level and with Jupyter Notebooks

rtbh-collector

collect remote triggered black hole (RTBH) filtering routes

bgp-hackathon

Scopy

An integrated negative design python library for desirable HTS/VS database design

poxstuff

Respository for Pox Material

SDN-Firewall

Layer 4 Firewall for Software Defined Networks

sdn-app

这个目录中存放的是自己学习SDN时写的mininet拓扑结构和Ryu应用程序。

POX_Firewall

Firewall controller module for POX OpenFlow controller

nmp_qc

Our own implementation of Neural Message Passing for Computer Vision paper

BioRL

acs_spring_2019_acid_base

deepchem

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

platinhom.github.com

My Homepage

nerpa

MCR

MCR enumeration

gp_redox_rxn

Code repo for redox potentials with GPs

neural_reaction_fingerprint

clusterCAD

A computational platform for type I modular PKS and NRPS design

ASKCOS

Software package for computer aided synthesis planning

clusfps

A Molecular cluster tools built on RDKit

Mol_DQN_ADMET

ADMET Optimization

prop_gen

A novel hybrid method for generating molecules with desired property scores.

GraphINVENT

Graph neural networks for molecular design.

GA

Code for the paper: Augmenting genetic algorithms with deep neural networks for exploring the chemical space

chemical_vae

Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

GB_GA

Graph-based genetic algorithm

selfies

Robust representation of semantically constrained graphs, in particular for molecules in chemistry