DEEPScreen
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DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images
I'm new to machine learning and am trying to use DEEPScreen to generate predictions for some new molecules. I want to use a pre-trained model and don't want to train...
DEEPScreen gives out results active or inactive. Is there a data of binding affinity included in it. Also the accuracy of result will be lesser if 2D Image is taken...
Bumps [cairosvg](https://github.com/Kozea/CairoSVG) from 2.4.2 to 2.5.1. Release notes Sourced from cairosvg's releases. 2.5.1 WARNING: this is a security update. When processing SVG files, CairoSVG was using two regular expressions which...
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Bumps [scipy](https://github.com/scipy/scipy) from 1.5.0rc2 to 1.11.0rc1. Release notes Sourced from scipy's releases. SciPy 1.11.0rc1 SciPy 1.11.0 Release Notes Note: SciPy 1.11.0 is not released yet! SciPy 1.11.0 is the culmination...
Bumps [torch](https://github.com/pytorch/pytorch) from 1.5.0 to 1.13.1. Release notes Sourced from torch's releases. PyTorch 1.13.1 Release, small bug fix release This release is meant to fix the following issues (regressions /...
Bumps [cairosvg](https://github.com/Kozea/CairoSVG) from 2.5.1 to 2.7.0. Release notes Sourced from cairosvg's releases. 2.7.0 WARNING: this is a security update. When processing SVG files, CairoSVG could access other files online, possibly...
Bumps [scikit-learn](https://github.com/scikit-learn/scikit-learn) from 0.23.1 to 1.5.0. Release notes Sourced from scikit-learn's releases. Scikit-learn 1.5.0 We're happy to announce the 1.5.0 release. You can read the release highlights under https://scikit-learn.org/stable/auto_examples/release_highlights/plot_release_highlights_1_5_0.html and...
Bumps [torch](https://github.com/pytorch/pytorch) from 1.5.0 to 2.2.0. Release notes Sourced from torch's releases. PyTorch 2.2: FlashAttention-v2, AOTInductor PyTorch 2.2 Release Notes Highlights Backwards Incompatible Changes Deprecations New Features Improvements Bug fixes...