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rxn4chemistry
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rxn_yields
Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc81d) and data augmentation strategies (https://doi.org/10.26434/chemrxiv.13286741).
https://rxn4chemistry.github.io/rxn_yields/
MIT License
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Embeddings
#17
Egelvein
opened
7 months ago
0
Installation issue
#16
dhruv-acog
opened
1 year ago
0
AttributeError: 'SmilesClassificationModel' object has no attribute 'loss_fct'
#15
LinPXi
opened
1 year ago
2
Fix incorrect import in training script
#14
avaucher
opened
2 years ago
0
Updated core.py resolved import of SmilesTokenizer
#13
dubeyakshat07
opened
2 years ago
2
Can't find the smooth data in the folder that downloaded from the Box
#12
Vaaaas
opened
2 years ago
0
Incorrect tokenizer loaded from checkpoint
#11
kspieks
closed
2 years ago
3
Update the Box link for the USPTO data
#10
avaucher
closed
2 years ago
0
Can't get uspto data from box folder
#9
lry124
closed
2 years ago
2
custom max_seq_length
#8
rmrmg
closed
2 years ago
5
Problem with reproducing Suzuki-Miyaura results
#7
Nanotekton
closed
3 years ago
3
Can‘t find the Sukuzi-Miyaura data in the folder 'random_splits'
#6
lry124
closed
3 years ago
1
bump kramdown and other gems / update citations
#5
pschwllr
closed
3 years ago
0
Issue with fine-tuning
#4
marcosfelt
opened
3 years ago
1
Code for "Data augmentation strategies to improve reaction yield pred…
#3
pschwllr
closed
3 years ago
0
Changing Reaction forward template
#2
atharvapurdue
closed
3 years ago
1
New models, better code reusage from rxnfp
#1
pschwllr
closed
3 years ago
0