issues
search
rxn4chemistry
/
rxnfp
Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" (http://rdcu.be/cenmd).
https://rxn4chemistry.github.io/rxnfp/
MIT License
156
stars
40
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
RXNFP
#22
ChriRRojas
opened
2 weeks ago
0
Using "bert_ft" as a starting point to further training
#21
yvanrousset
opened
1 year ago
0
Higher Python version compatibility
#20
xuchunqiu
opened
1 year ago
1
Reaction fingerprint store in Database
#19
sitanshubhunia
opened
1 year ago
2
About models in the original 'model' folders
#18
a09358872999
opened
1 year ago
0
Bugs in batch generation of fingerprints by rxnfp
#17
wangxr0526
closed
11 months ago
0
reactionid to reactioncode or name
#16
thegodone
closed
2 years ago
4
Fine-tuning BERT for reaction classification doesn't work on GPU
#15
v-in-cube
closed
2 years ago
6
Can't get USPTO 1k TPL dataset
#14
lry124
closed
2 years ago
1
Finetuning of the fingerprint model
#13
JustABiologist
closed
3 years ago
1
Update
#12
pschwllr
closed
3 years ago
0
tmap issue
#11
xiaoqiangsheng2016
closed
3 years ago
1
script launch_buchwald_hartwig_training.py hangs
#10
PrzemekPobrotyn
closed
3 years ago
6
Error When Generating Fingerprints
#9
DayRB25
closed
3 years ago
8
bump to 0.0.9
#8
pschwllr
closed
3 years ago
0
during the import transformer no SAVE_STATE_WARNING
#7
qiaohaoran
closed
3 years ago
3
bump gems / update citation and links
#6
pschwllr
closed
3 years ago
0
Simpletransformers version/set up
#5
jpjanet
closed
3 years ago
2
set max transformers version
#4
pschwllr
closed
3 years ago
0
Check transformers compatibility
#3
pschwllr
closed
3 years ago
0
MLM and classification tutorial, USPTO 1k TPL data set, new results
#2
pschwllr
closed
4 years ago
0
adding optional adapters to smilestransformers models
#1
pschwllr
closed
4 years ago
0