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coleygroup
/
rxn-ebm
Energy-based modeling of chemical reactions
MIT License
29
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7
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Issues in preprocessing for GLN
#10
ZhichaoTan
opened
2 weeks ago
1
doc: fix incorrect README on graph feats
#9
linminhtoo
opened
1 year ago
0
Cannot run make_graphfeat.sh script
#8
VincentBt
opened
1 year ago
2
Merge minhtoo latest branch
#7
linminhtoo
closed
3 years ago
0
DDP training is functional + more G2E variants
#6
linminhtoo
closed
3 years ago
0
G2e temp
#5
linminhtoo
closed
3 years ago
0
Merge minhtoo's g2e-temp into ztu's g2e efficiency fixes
#4
linminhtoo
closed
3 years ago
0
Update branch using feature-add-graph-encoder-ztu
#3
alexjli
closed
3 years ago
0
Merge in Zhengkai's Code surgery for 6867 pj ztu
#2
linminhtoo
closed
4 years ago
0
merge zhengkai's Feature add retro api ztu
#1
linminhtoo
closed
4 years ago
0