Yifan Shen's repositories
Fortran-Library
Mathematical & chemical routines e.g. nonlinear optimization etc. with c++ & python frontend
Torch-Chemistry
Chemistry kernel library based on LibTorch
Cpp-Library
Command line argument parser & basic templates & operator overloads etc.
C6H7N-aniline
Project on aniline photodissociation
SurfGenBound
Surface generation package for bound system
Columbus7-Extension
Useful extension and modification for Columbus7
Tool-Collection
Collection of useful tools in my research like data visualization etc.
coremltools
Core ML tools contain supporting tools for Core ML model conversion, editing, and validation.
executorch
End-to-end solution for enabling on-device AI across mobile and edge devices for PyTorch models
MCSMD
Multi-centred semiclassical Moyal dynamics
MultiDimDVR
Multi-dimensional DVR solver for cartesian coordinates.
NadVibS
Nonadiabatic vibrational spectrum simulation package
pytorch
Tensors and Dynamic neural networks in Python with strong GPU acceleration
PyTorch-Benchmark
TorchBench is a collection of open source benchmarks used to evaluate PyTorch performance.
pytorch-notes
some random notes I took during learning pytorch
SurfGenTorch
Surface generation package based on libtorch
tensorflow
An Open Source Machine Learning Framework for Everyone
tutorials
PyTorch tutorials.