Pinned Repositories
Augmentor
Image augmentation library in Python for machine learning.
chemical_vae
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
constrained-graph-variational-autoencoder
Sample code for Constrained Graph Variational Autoencoders
graph_nets
Build Graph Nets in Tensorflow
handson-ml3
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
icml18-jtnn
mofid
A system for rapid identification and analysis of metal-organic frameworks
Monte-Carlo-Code-H-adsorption-on-the-surface-of-Pd
Python code for Monte Carlo simulation project of H adsorption on Pd
RASPA2
A mirror of David Dubbeldam's general purpose classical simulation package.
Supramolecular_VAE
zhenpengyao's Repositories
zhenpengyao/Supramolecular_VAE
zhenpengyao/mofid
A system for rapid identification and analysis of metal-organic frameworks
zhenpengyao/Monte-Carlo-Code-H-adsorption-on-the-surface-of-Pd
Python code for Monte Carlo simulation project of H adsorption on Pd
zhenpengyao/RASPA2
A mirror of David Dubbeldam's general purpose classical simulation package.
zhenpengyao/Augmentor
Image augmentation library in Python for machine learning.
zhenpengyao/chemical_vae
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
zhenpengyao/constrained-graph-variational-autoencoder
Sample code for Constrained Graph Variational Autoencoders
zhenpengyao/graph_nets
Build Graph Nets in Tensorflow
zhenpengyao/handson-ml3
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
zhenpengyao/icml18-jtnn
zhenpengyao/imgaug
Image augmentation for machine learning experiments.
zhenpengyao/ipyvolume
3d plotting for Python in the Jupyter notebook based on IPython widgets using WebGL
zhenpengyao/lammps_interface
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
zhenpengyao/mean-square-displacement
zhenpengyao/melting_points_ml
Data analytics for molecular solids melting points
zhenpengyao/moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
zhenpengyao/moses
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
zhenpengyao/rdkit_colab
Example repo for running custom software (rdkit) on a colab with private github repo.
zhenpengyao/tobacco_1.0
zhenpengyao/tobacco_3.0
zhenpengyao/unet
unet for image segmentation