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PDD: Awesome Phenotypic Drug Discovery
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Jun 11, 2025
Collection of papers for Molecular Representation using AI
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Jun 14, 2025
The one model for genesis of peptide ligands
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Oct 24, 2022
This is a model find optimized PARP1 inhibitor based on ORGANIC
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Nov 28, 2021 - Jupyter Notebook
This project uses a Variational Autoencoder (VAE) to generate SMILES strings for novel compound generation. The VAE model is trained on a dataset of existing chemical compounds and can generate new, valid SMILES strings, which may represent potentially new and useful chemical entities.
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Jun 6, 2024 - Jupyter Notebook
📁study logs about Drug Discovery with AI
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Jul 9, 2024 - Jupyter Notebook
⚕️2024 Herbstsemester Applied Mathematics and Informatics in Drug Discovery @ UniBas
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Oct 25, 2024
DeepEP is a communication library designed for Mixture-of-Experts and expert parallelism, featuring high-throughput, low-latency GPU kernels. It supports low-precision operations and offers optimized kernels for efficient data forwarding across domains. 🖥️🚀
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Jun 23, 2025 - Cuda
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