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liuxiaotong's Projects

ae_3d icon ae_3d

try to make an autoencoder from 3d structure to 3d structure using conv3d

e2e_public icon e2e_public

For paper 'Artificial intuition for solving chemistry problems via an End-to-End approach: a proof of concept'

geomconvert icon geomconvert

A python utility to convert between XYZ and Z-matrix geometries.

megnet icon megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

mossbauer_preprocess icon mossbauer_preprocess

Convert the wien2k input and output files of mossbauer calculation to a database in ASE format.

o2u_qm9 icon o2u_qm9

try to apply o2u algo on qm9 regression with some noise

paxosstore icon paxosstore

PaxosStore has been deployed in WeChat production for more than two years, providing storage services for the core businesses of WeChat backend. Now PaxosStore is running on thousands of machines, and is able to afford billions of peak TPS.

policy-gradient-methods icon policy-gradient-methods

Implementation of Algorithms from the Policy Gradient Family. Currently includes: A2C, A3C, DDPG, TD3, SAC

python-atat icon python-atat

Python wrappers for the Alloy Theoretic Automated Toolkit

zmatrix icon zmatrix

A class for conversion between zmatrices and cartesian coordinates

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