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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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Translations
#200
whitead
opened
2 years ago
0
Molnets Chapter Completion
#199
whitead
closed
1 year ago
0
Missing twist in kernel definition (Chapter Kernel learning)
#198
kjappelbaum
closed
1 year ago
3
Data leakage upon train/test split in kernel learning chapter
#197
kjappelbaum
closed
1 year ago
1
Small fixes to Equivariant NN chapter
#196
RMeli
closed
2 years ago
1
fix: typos in equivariant chapter
#195
kjappelbaum
closed
2 years ago
1
Fixed CG Coefficient Computation
#194
whitead
closed
2 years ago
0
SO(3) Example in Equiv Chapter
#193
whitead
closed
2 years ago
1
Broken link and jax incompatibility Apple Silicon M1(pro)
#192
AlejandroGGlez
closed
2 years ago
3
XAI
#191
whitead
closed
1 year ago
1
Fix build errors in master
#190
whitead
closed
2 years ago
0
Fixed e3nn reference
#189
SamCox822
closed
2 years ago
0
e3nn model explanation
#188
SamCox822
closed
2 years ago
1
added tokenizers to installs
#187
SamCox822
closed
2 years ago
0
added tranformers install
#186
SamCox822
closed
2 years ago
1
E3NN Traj Chapter Header Fix
#185
SamCox822
closed
2 years ago
2
Pin simpletransformers in setup
#184
hgandhi2411
closed
2 years ago
4
Pin versions in setup
#183
hgandhi2411
closed
2 years ago
3
changed to conda pytorch
#182
SamCox822
closed
2 years ago
0
Inconsistency in Section 4.4.1
#181
SamCox822
closed
2 years ago
0
Linear Perceptron Edits
#180
SamCox822
closed
2 years ago
1
fixed ml typo
#179
SamCox822
closed
2 years ago
0
Fixed Typo
#178
SamCox822
closed
2 years ago
0
E3NN Tutorial Edits from Review
#177
SamCox822
closed
2 years ago
0
Question about SchNet explanations
#176
resnant
closed
2 years ago
3
Typo
#175
jasperhyp
closed
2 years ago
1
Cite this
#174
whitead
closed
1 year ago
3
Add Parity Plots
#173
SamCox822
closed
2 years ago
0
Issue on page /math/tensors-and-shapes.html
#172
RDWE
closed
2 years ago
2
Changed code cell to text cell
#171
SamCox822
closed
2 years ago
0
Update Equivariant.ipynb
#170
killiansheriff
closed
2 years ago
1
Data shuffling issue on page /applied/QM9.html
#169
awesomepgm
closed
2 years ago
3
changing torch from conda install to pip
#168
SamCox822
closed
2 years ago
0
fixing merging conflicts
#167
SamCox822
closed
2 years ago
2
Typos, Installs, and other code
#166
SamCox822
closed
2 years ago
1
Update data.ipynb
#165
killiansheriff
closed
2 years ago
0
added authorship
#164
SamCox822
closed
2 years ago
0
"finished e3nn model"
#163
SamCox822
closed
2 years ago
0
Removed pygraphviz
#162
whitead
closed
2 years ago
0
Could not install dmol package
#161
aroll727
closed
2 years ago
1
Use new rdkit pip install
#160
whitead
closed
2 years ago
1
Normalizing Flows
#159
whitead
closed
1 year ago
0
fixed bugs
#158
mehradans92
closed
2 years ago
1
Addressed issue #154
#157
arunppsg
closed
2 years ago
1
Equivariant NN Review
#156
whitead
opened
2 years ago
9
Update for new jupyer book version
#155
whitead
closed
1 year ago
1
Question on SO3 group from equivariant chapter
#154
arunppsg
closed
2 years ago
2
Book doesn't run in Colab
#153
javialra97
closed
2 years ago
2
Scaffold Split
#152
whitead
opened
2 years ago
2
Exercises
#151
whitead
opened
2 years ago
2
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