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whitead
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dmol-book
Deep learning for molecules and materials book
https://dmol.pub
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Version 1 Initial Draft
#150
whitead
closed
2 years ago
0
Better discussion & table of metrics
#149
whitead
closed
2 years ago
0
New model exmol
#148
geemi725
closed
2 years ago
0
Grouping GNN, Equiv, MS Issues
#147
whitead
closed
2 years ago
1
Simple Transformer
#146
whitead
opened
2 years ago
0
revised chapter based on suggested changes
#145
mehradans92
closed
2 years ago
2
Social media icon
#144
whitead
closed
2 years ago
0
Reduce notebook header
#143
whitead
closed
2 years ago
1
Equivariant NN Chapter
#142
whitead
closed
2 years ago
1
Chapter 7.1. Images
#141
d3e5560
closed
2 years ago
1
Chapter 6 -- Linear systems
#140
d3e5560
closed
2 years ago
1
Reviewer 3
#139
whitead
closed
2 years ago
0
Applied Chapters Improvements
#138
whitead
opened
2 years ago
1
Data Augmentation
#137
whitead
closed
2 years ago
2
Exmol
#136
whitead
closed
2 years ago
1
Reviewer 2 Comments
#135
whitead
closed
2 years ago
0
Reviewer 1 Revisions
#134
whitead
closed
2 years ago
0
Regression Uncertainty
#133
whitead
opened
2 years ago
0
Figures
#132
whitead
opened
2 years ago
0
Exmol touchups
#131
geemi725
closed
2 years ago
0
References
#130
whitead
closed
2 years ago
1
uncertainty draft
#129
ziyueyang37
closed
1 year ago
1
Pretraining chapter [WIP]
#128
hgandhi2411
closed
2 years ago
3
application chapter on equivariant neural networks
#127
SamCox822
closed
2 years ago
0
Example Trajectory E3NN Chapter
#126
SamCox822
closed
2 years ago
0
Representations
#125
whitead
closed
2 years ago
1
Hyperparameter optimization chapter
#124
mehradans92
closed
2 years ago
3
exmol section
#123
geemi725
closed
2 years ago
3
gnn update
#122
whitead
closed
2 years ago
6
exmol section
#121
geemi725
closed
2 years ago
2
Improved VAE background and noted pz options
#120
whitead
closed
2 years ago
0
Fix pip install death
#119
whitead
closed
2 years ago
0
Mol Generator GRU
#118
whitead
closed
2 years ago
1
Added github token to link checking
#117
whitead
closed
2 years ago
0
Github link Checker problem
#116
whitead
closed
2 years ago
1
Addressing Issue 108
#115
whitead
closed
2 years ago
0
Addressed issue #91
#114
whitead
closed
2 years ago
0
GNN Code Comments
#113
whitead
closed
2 years ago
0
Classification Imbalance
#112
whitead
closed
2 years ago
1
8. GNN - Why the changing Adjacency Matrix/Tensor definition? / Possible simplification
#111
jschrier
closed
2 years ago
2
Notation error Jackknife+ description (Sections 3.7.2, eqns 3.14-15)
#110
jschrier
closed
3 years ago
1
Addressed comments on Regression chapter
#109
whitead
closed
3 years ago
0
G-Equivariant NN Def
#108
whitead
closed
2 years ago
5
EMLP
#107
whitead
closed
2 years ago
0
Chirality
#106
whitead
closed
2 years ago
1
For pooling discussion
#105
whitead
closed
3 years ago
1
NLP feedback
#104
kjappelbaum
closed
2 years ago
2
Cabergh feedback
#103
whitead
closed
3 years ago
0
add Testing with Concept Activation Vectors (TCAV) for interpretability (?)
#102
kjappelbaum
closed
2 years ago
1
XAI Chapter Revision
#101
whitead
closed
2 years ago
4
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