Pinned Repositories
6.s898_neuralPDE
active-learning-intro
chespin
for Hack&Roll 2020; tutor recommender website
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Dining-Hall-nCoV-Regulation-Bot
An effort to reduce potential community spread during COVID-19 outbreak
general-science
personal collection of analysis / helper scripts
ML_System_for_Photosensitizer_Design
This is the code and data by Jiali Li and Pengfei Cai for the paper "Self-Improving Photosensitizer Discovery System via Bayesian Search with First-Principle Simulations"
NIRII-ML-Design
Prediction model used in the paper: Accelerated Design of Near-Infrared-II Molecular Fluorophores via First-Principle Understanding and Machine Learning.
UV-Vis-Gold-NCs
Code for: Decoding Complexity in Chemical Compositions from Optical Absorption Spectra by Machine Learning
VASP-Examples
Compilation of some VASP notes, tutorials, and examples!
cpfpengfei's Repositories
cpfpengfei/Dining-Hall-nCoV-Regulation-Bot
An effort to reduce potential community spread during COVID-19 outbreak
cpfpengfei/VASP-Examples
Compilation of some VASP notes, tutorials, and examples!
cpfpengfei/NIRII-ML-Design
Prediction model used in the paper: Accelerated Design of Near-Infrared-II Molecular Fluorophores via First-Principle Understanding and Machine Learning.
cpfpengfei/UV-Vis-Gold-NCs
Code for: Decoding Complexity in Chemical Compositions from Optical Absorption Spectra by Machine Learning
cpfpengfei/chespin
for Hack&Roll 2020; tutor recommender website
cpfpengfei/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
cpfpengfei/general-science
personal collection of analysis / helper scripts
cpfpengfei/6.s898_neuralPDE
cpfpengfei/active-learning-intro
cpfpengfei/cpfpengfei
cpfpengfei/ML_System_for_Photosensitizer_Design
This is the code and data by Jiali Li and Pengfei Cai for the paper "Self-Improving Photosensitizer Discovery System via Bayesian Search with First-Principle Simulations"
cpfpengfei/dmol-book
Deep learning for molecules and materials book
cpfpengfei/dogGenerator
A variational autoencoder that generates images of dogs (instead of cats)
cpfpengfei/HandBrew_alarm_makerthon
Basic alarm system connected to HandBrew tablet app for Makerthon 2019. Built for iOS and Android with Flutter.
cpfpengfei/helpdeskbot
A Python Telegram Bot that works as a helpdesk software.
cpfpengfei/HelpLah
cpfpengfei/jax-fem
Differentiable Finite Element Method with JAX
cpfpengfei/jax-fenics-adjoint
Differentiable interface to FEniCS/Firedrake for JAX using dolfin-adjoint/pyadjoint
cpfpengfei/jovian-notebooks
cpfpengfei/machine_learning_examples
A collection of machine learning examples and tutorials.
cpfpengfei/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
cpfpengfei/sgTuitionsDataAnalysis
sgTuitions Exploratory Data Analysis
cpfpengfei/torch-fenics
torch-fenics