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1.3.0, pip release bugfix
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SeonghwanSeo committed Dec 29, 2023
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8 changes: 4 additions & 4 deletions README.md
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Expand Up @@ -43,11 +43,11 @@ pip install molvoxel[numba, torch, rdkit] # Optional Dependencies
### Configuring Voxelizer Object
```python
import molvoxel
# Default (Gaussian sigma = 0.5)
voxelizer = molvoxel.create_voxelizer(resolution=0.5, dimension=64, density_type='gaussian', library='numpy')
# Set gaussian sigma = 1.0, spatial dimension = (48, 48, 48)
# Default (Resolution: 0.5, dimension: 64, density_type: gaussian, sigma: 0.5, library='numpy')
voxelizer = molvoxel.create_voxelizer()
# Set gaussian sigma = 1.0, spatial dimension = (48, 48, 48) with numba library
voxelizer = molvoxel.create_voxelizer(dimension=48, density_type='gaussian', sigma=1.0, library='numba')
# Set binary density
# Set binary density with torch library
voxelizer = molvoxel.create_voxelizer(density_type='binary', library='torch')
# CUDA
voxelizer = molvoxel.create_voxelizer(library='torch', device='cuda')
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2 changes: 1 addition & 1 deletion molvoxel/__init__.py
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@@ -1,4 +1,4 @@
from . import voxelizer
from .voxelizer import *

__version__ = '0.1.3-a0'
__version__ = '0.1.3'
Empty file added molvoxel/etc/__init__.py
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2 changes: 1 addition & 1 deletion setup.py
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Expand Up @@ -7,7 +7,7 @@

setup(
name='molvoxel',
version='0.1.3-a0',
version='0.1.3',
description='MolVoxel:Easy-to-Use Molecular Voxelization Tool',
long_description=long_description,
long_description_content_type='text/markdown',
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