Ecosyste.ms: Repos

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Package Usage: pypi: deepsmiles

DeepSMILES, a SMILES-like syntax suited to machine learning
2 versions
Latest release: over 5 years ago
1 dependent package
1,225 downloads last month

View more package details: https://packages.ecosyste.ms/registries/pypi.org/packages/deepsmiles

View more repository details: https://repos.ecosyste.ms/hosts/GitHub/repositories/baoilleach%2Fdeepsmiles

Dependent Repos 4

undeadpixel/reinvent-randomized

Recurrent Neural Network using randomized SMILES strings to generate molecules

* environment.yml

Size: 117 MB - Last synced: 10 months ago - Pushed: over 4 years ago

007gzs/test

* requirements.txt

Size: 1.6 MB - Last synced: 5 months ago - Pushed: 5 months ago

baitutanglj/cadd

==1.0.1 pyCode/requirements.txt

Size: 0 Bytes - Last synced: about 1 year ago - Pushed: about 1 year ago

Global-Chem/Mother-Nature

==1.0.1 requirements.txt

Size: 1.17 MB - Last synced: 9 months ago - Pushed: 9 months ago

NikhilMukraj/mod-qsar

A modular inverse QSAR pipeline

==1.0.1 requirements.txt

Size: 20.1 MB - Last synced: 3 days ago - Pushed: 3 days ago

EricBoittier/molzip Fork of daenuprobst/molzip

The gzip classification method implemented for molecule classification.

==1.0.1 requirements.txt

Size: 5.16 MB - Last synced: 2 days ago - Pushed: 11 months ago

DangerLin/selfies Fork of aspuru-guzik-group/selfies

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

==1.0.1 original_code_from_paper/environment.yml

Size: 15.9 MB - Last synced: 10 months ago - Pushed: over 2 years ago

PowersPope/molzip Fork of daenuprobst/molzip

The gzip classification method implemented for molecule classification.

==1.0.1 requirements.txt

Size: 5.19 MB - Last synced: 10 months ago - Pushed: 10 months ago

Rostlab/smiles-cl

1.0.1 poetry.lock
^1.0.1 pyproject.toml

Size: 197 KB - Last synced: 10 months ago - Pushed: 10 months ago

heliu226/NPS-generation Fork of skinnider/NPS-generation

==1.0.1 environment.yml

Size: 60.5 KB - Last synced: 10 months ago - Pushed: almost 3 years ago

Usmanovsky/selfies Fork of aspuru-guzik-group/selfies

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

==1.0.1 original_code_from_paper/environment.yml

Size: 15.7 MB - Last synced: 9 months ago - Pushed: 9 months ago

biocheming/selfies Fork of aspuru-guzik-group/selfies

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

==1.0.1 original_code_from_paper/environment.yml

Size: 13.2 MB - Last synced: 9 months ago - Pushed: almost 3 years ago

lyndonlens/reinvent-randomized Fork of undeadpixel/reinvent-randomized

Recurrent Neural Network using randomized SMILES strings to generate molecules

* environment.yml

Size: 117 MB - Last synced: 9 months ago - Pushed: over 4 years ago

ilyes319/selfies Fork of aspuru-guzik-group/selfies

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

==1.0.1 original_code_from_paper/environment.yml

Size: 15.7 MB - Last synced: 9 months ago - Pushed: over 1 year ago

cklam12345/selfies Fork of aspuru-guzik-group/selfies

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

==1.0.1 original_code_from_paper/environment.yml

Size: 15.7 MB - Last synced: 9 months ago - Pushed: 10 months ago

DeepDrugDomain: A versatile Python toolkit for streamlined preprocessing and accurate prediction of drug-target interactions and binding affinities, leveraging deep learning for advancing computational drug discovery.