pypi.org "smiles-strings" keyword
View the packages on the pypi.org package registry that are tagged with the "smiles-strings" keyword.
smilesfeature 0.1.15
A Python package that automatically generates derived variables from a column with SMILES (Simpli...16 versions - Latest release: over 1 year ago - 537 downloads last month - 2 stars on GitHub - 1 maintainer
smiles-encoder 0.1.1
One-hot encoding for simple molecular-input line-entry system (SMILES) strings2 versions - Latest release: over 1 year ago - 96 downloads last month - 0 stars on GitHub - 1 maintainer
chemicalx 0.1.0
A Deep Learning Library for Drug Pair Scoring.10 versions - Latest release: about 3 years ago - 1 dependent repositories - 442 downloads last month - 700 stars on GitHub - 3 maintainers
Top 4.6% on pypi.org
6 versions - Latest release: 3 months ago - 3 dependent packages - 17 dependent repositories - 3.43 thousand downloads last month - 152 stars on GitHub - 1 maintainer
pysmiles 2.0.0
A lightweight SMILES reader and writer6 versions - Latest release: 3 months ago - 3 dependent packages - 17 dependent repositories - 3.43 thousand downloads last month - 152 stars on GitHub - 1 maintainer
emc-pypi 2023.8.2
Python interface for the Enhanced Monte Carlo (EMC) package9 versions - Latest release: over 1 year ago - 1 dependent package - 1 dependent repositories - 5.2 thousand downloads last month - 11 stars on GitHub - 1 maintainer
schemist 0.0.4
Organizing and processing tables of chemical structures.6 versions - Latest release: about 2 months ago - 811 downloads last month - 1 stars on GitHub - 1 maintainer
smiles-autoencoder 0.1.0
Autoencoders for SMILES strings2 versions - Latest release: 9 months ago - 77 downloads last month - 0 stars on GitHub - 1 maintainer
smilesfeaturizer 0.1.3
A Python package that automatically generates derived variables from a column with SMILES (Simpli...4 versions - Latest release: over 1 year ago - 115 downloads last month - 2 stars on GitHub - 1 maintainer
Related Keywords
smiles
6
SMILES
5
chemistry
5
cheminformatics
2
computational-chemistry
2
molecule
2
featurizer
2
feature
2
chemical-engineering
2
bioinformatics
2
biochemistry
2
Computational Chemistry
2
Chemical Data Analysis
2
Molecular Descriptor Generation
2
Molecular Informatics
2
Cheminformatics
2
Python
2
Simulation
1
LAMMPS
1
Molecular Dynamics
1
EMC
1
writing-smiles
1
python
1
hacktoberfest
1
torchdrug
1
torch
1
one-hot-encoding
1
lammps
1
lammps-data
1
lammps-python-interface
1
molecular-dynamics
1
molecular-dynamics-simulation
1
monte-carlo
1
science
1
SELFIES
1
selfies
1
autoencoder
1
drug
1
deep-learning
1
deep-chemistry
1
deep-ai
1
torch-drug
1
synergy-prediction
1
synergy
1
drug-combination
1
deep-synergy
1
drug-interaction
1
pharma
1
biology
1
drug-discovery
1
drug-pair
1
geometric-deep-learning
1
geometry
1
graph-neural-network
1
machine-learning
1
polypharmacy
1
pytorch
1