Pinned

1. gmmsb-lncc/docktgrid gmmsb-lncc/docktgrid Public

   Create customized voxel representations of protein-ligand complexes using GPU.

   Python 7 2

2. gmmsb-lncc/generative-optim gmmsb-lncc/generative-optim Public

   Multi- and many-objective optimization in generative chemistry model latent spaces.

   Python 3

3. Item 1 - Perceptron Item 1 - Perceptron

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   import numpy as np

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   def generate_dataset(N: int, p1: list, p2: list, seed: int = 42):

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       """Generate a random dataset with size N from p1 and p2."""

4. Represent molecules with voxel grids Represent molecules with voxel grids

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   {

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     "nbformat": 4,

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     "nbformat_minor": 0,

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     "metadata": {

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       "colab": {