muammar ml4chem issues - Githubissues

muammar / ml4chem

ML4Chem: Machine Learning for Chemistry and Materials

https://ml4chem.dev

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Added version requirement of msgpack>=0.6.0 in requirement.txt

#22 vishankkumar closed 3 years ago
1
Version 0.1.0

#21 muammar opened 3 years ago
0
Addition of Topological loss function.

#20 muammar closed 3 years ago
1
Transfer Learning

#19 muammar opened 4 years ago
0
Add Gaussian Process Model

#18 muammar opened 4 years ago
1
Ionic nn

#17 eligardella closed 4 years ago
0
Ionic Potentials-based on Alireza Ghasemi, 2015

#16 eligardella opened 4 years ago
2
Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network

#15 muammar opened 5 years ago
1
Incorporated a weighted feature for the Gaussian functions

#14 jacklyngee closed 5 years ago
0
Implementation of G4 symmetry function.

#13 jacklyngee closed 5 years ago
0
This is the cjson reader.

#12 jacklyngee closed 5 years ago
0
Add a CJSON reader

#11 muammar closed 5 years ago
1
Add ModelMerger class

#10 muammar closed 4 years ago
2
Moved from GPL to MIT.

#9 muammar closed 5 years ago
0
Implement Weighted ACSFs

#8 muammar closed 5 years ago
1
Add Kernel Ridge Regression

#7 muammar opened 5 years ago
0
Methods to save() and load() models

#6 muammar closed 5 years ago
1
Create some rule to initialize models

#5 muammar opened 5 years ago
2
Create a custom loss function to train energies

#4 muammar closed 5 years ago
1
Make Pytorch train a Neural Network for mono and multi element training sets

#3 muammar closed 5 years ago
2
Make the Data class universal

#2 muammar opened 5 years ago
0
Pure Python gaussian local chemical envirnoment

#1 muammar closed 5 years ago
0