lan-codes - Overview
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Benchmark_VS Benchmark_VS Public
Integrating Machine Learning-Based Pose Sampling with Established Scoring Functions for Virtual Screening
Jupyter Notebook 6
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decoy_generation decoy_generation Public
Forked from molinfo-vienna/CDPKit-Utils
CADD utility scripts for decoy generation based on CDPKit
Python
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Pytorch-VAE-tutorial Pytorch-VAE-tutorial Public
Forked from Jackson-Kang/Pytorch-VAE-tutorial
A simple tutorial of Variational AutoEncoders with Pytorch
Jupyter Notebook
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Protein_ligand_docking Protein_ligand_docking Public
Basic example of protein-ligand docking using Smina
Jupyter Notebook
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LibMTL LibMTL Public
Forked from median-research-group/LibMTL
A PyTorch Library for Multi-Task Learning
Python
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python-template python-template Public
Forked from wschuell/python-template
Netherlands eScience Center Python Template
Jinja
