yccai's Stars
HIPS/neural-fingerprint
Convolutional nets which can take molecular graphs of arbitrary size as input.
gy910210/neural-network-from-scratch
Implementing Multiple Layer Neural Network from Scratch
rdkit/rdkit-tutorials
Tutorials to learn how to work with the RDKit
GUR9000/KerasNeuralFingerprint
Keras-based implementation of neural fingerprints, operating on molecular graphs of arbitrary size
gy910210/rnn-from-scratch
Implementing Recurrent Neural Network from Scratch
sevamoo/SOMPY
A Python Library for Self Organizing Map (SOM)
PnYuan/Machine-Learning_ZhouZhihua
Exercises answers to the book "machine-learning" written by Prof. Zhou Zhihua of Nanjing University
SeongokRyu/Molecular-GAT
Molecular-GAT
cxhernandez/molencoder
Molecular AutoEncoder in PyTorch
maxhodak/keras-molecules
Autoencoder network for learning a continuous representation of molecular structures.
samoturk/mol2vec
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
RedaOps/ann-visualizer
A python library for visualizing Artificial Neural Networks (ANN)
sjvasquez/handwriting-synthesis
Handwriting Synthesis with RNNs ✏️
tsudalab/ChemTS
Molecule Design using Monte Carlo Tree Search with Neural Rollout
1j01/jspaint
🎨 Classic MS Paint, REVIVED + ✨Extras
reymond-group/smilesDrawer
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
partridgejiang/Kekule.js
A Javascript cheminformatics toolkit.
asad/ReactionDecoder
Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
HIPS/molecule-autoencoder
A project to enable optimization of molecules by transforming them to and from a continuous representation.
ictxiangxin/paradox
Deep-Learning framework from scratch
aosabook/500lines
500 Lines or Less
ericmjl/graph-fingerprint
A package for using convolutional neural nets to learn a graph fingerprint.
keiserlab/keras-neural-graph-fingerprint
Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
merantix/picasso
:art: A CNN visualizer
mcs07/MolVS
Molecule Validation and Standardization
yosinski/deep-visualization-toolbox
DeepVis Toolbox
Gananath/DrugAI
Generation and Classification of Drug Like molecule usings Neural Networks
apahl/rdkit_ipynb_tools
RDKit Tools for the IPython Notebook
pjreddie/darknet
Convolutional Neural Networks
tiny-dnn/tiny-dnn
header only, dependency-free deep learning framework in C++14