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datamol-io
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molfeat
molfeat - the hub for all your molecular featurizers
https://molfeat.datamol.io
Apache License 2.0
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Add community project (AC Suite)
#100
maclandrol
opened
4 days ago
0
refactor: use rdFingerprinGenerator
#99
isty2e
opened
1 week ago
7
DEPRECATION WARNING: please use MorganGenerator
#98
isty2e
opened
1 week ago
2
AC Suite
#97
cmvcordova
opened
1 week ago
1
Install issues , transformer module, involves pandas
#96
DocMinus
opened
3 months ago
2
Problem with jtvae_zinc_no_kl on Windows: os.unlink(tmp_file.name)
#95
rflameiro
opened
4 months ago
2
Add a link to how to integrate representation from SAFE
#94
maclandrol
closed
3 days ago
0
Fix/collate fn
#93
zhu0619
closed
6 months ago
2
Update the collate_fn for PYGGraphTransformer
#92
zhu0619
closed
6 months ago
2
New Release
#91
kkovary
closed
7 months ago
1
Generate 3D conformers in documentation
#89
miquelduranfrigola
closed
7 months ago
4
PretrainedHFTransformer can use GPUs
#88
kkovary
closed
7 months ago
0
`device` arg for `PretrainedHFTransformer` doesn't seem to do anything
#87
kkovary
closed
7 months ago
1
Sort the files and save the .bin model file for backwards compatibility
#86
cwognum
closed
7 months ago
2
Model Store Error
#85
GemmaTuron
closed
7 months ago
3
cannot download model
#84
peiyaoli
closed
4 months ago
20
Linting
#83
maclandrol
closed
9 months ago
0
Transformers
#82
maclandrol
closed
9 months ago
0
added python-dotenv to pyproject.toml
#81
kkovary
closed
9 months ago
5
dotenv and transformers are not included as dependencies when installing using pip
#80
kkovary
closed
9 months ago
2
GPT2-Zinc480M-87M and Roberta-Zinc480M-102M not retrievable
#79
arunraja-hub
closed
8 months ago
3
Pydantic versioning and general maintenance.
#78
maclandrol
closed
9 months ago
0
Molecular transformer dataframe input
#77
thibaultvarin-r
closed
10 months ago
0
Error Handling for Dataframes as input for MolecularTransformer
#76
thibaultvarin-r
closed
9 months ago
1
Improve docs on how to contribute and fix hanging test issues.
#75
maclandrol
closed
11 months ago
0
2D descriptors hanging for a long time because of IPC
#74
maclandrol
closed
11 months ago
0
revert #64 w/ updates (add `mordred` back)
#73
JacksonBurns
closed
11 months ago
3
Clarify Installation Requirements to run tests locally
#72
JacksonBurns
closed
11 months ago
4
Design / Concept doc as a separate page.
#71
maclandrol
closed
4 months ago
2
Misc
#70
maclandrol
closed
11 months ago
1
explicit_hydrogens in AdjGraphTransformer has no effect
#69
flogrammer
closed
11 months ago
3
fix: Support Pydantic 2.0
#68
jstlaurent
closed
11 months ago
0
Test failure with Pydantic 2.0
#67
jstlaurent
closed
11 months ago
0
Remove Mordred artifacts from store
#66
jstlaurent
closed
11 months ago
0
CPU only version of molfeat
#65
kkovary
opened
1 year ago
8
chore: Remove Mordred support
#64
jstlaurent
closed
11 months ago
1
Drop support for mordred
#63
jstlaurent
closed
11 months ago
2
New release process
#62
hadim
closed
1 year ago
2
Cannot download pretrained model (GCSFS failed)
#61
jwasswa2023
opened
1 year ago
16
Improve errors reporting and documentation
#60
maclandrol
opened
1 year ago
0
WIP: Basic structure for showcasing community contributions
#59
cwognum
closed
1 year ago
5
Request to add a link to Molfeat notebooks for Graphcore IPU
#58
s-maddrellmander
closed
1 year ago
3
Sum of input lengths does not equal the length of the input dataset
#57
peiyaoli
closed
11 months ago
2
Improve Documentation on ModelStore and model registration
#55
maclandrol
closed
1 year ago
0
fix doc site and add etl scripts
#54
maclandrol
closed
1 year ago
9
Fix doc molfeat and add new featurizers and ETL scripts
#53
maclandrol
closed
1 year ago
0
New featurizer
#51
ethancohen123
closed
1 year ago
6
Updated the background color in the docs
#50
cwognum
closed
1 year ago
2
Change content area width and fix color in nav bar for documentation
#48
maclandrol
closed
1 year ago
1
Pr/dessygil/40
#47
maclandrol
closed
1 year ago
2
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