Lei Lu's repositories

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FlashLFQ

Ultra-fast label-free quantification algorithm for mass-spectrometry proteomics

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Ask-Your-Humans

This repository is for the CS 7643 final project. We aim to reproduce the results achieved in the paper Ask Your Humans: Using Human Instructions to Improve Generalization in Reinforcement Learning in proceedings of ICLR 2021.

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local_protein_sequence_design

Design a local part of a protein

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match_ligand_binding_sites

Extract ligand binding sites from PDB. Match the binding sites to de novo scaffolds.

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MetaMorpheus

Bottom-up proteomics database search software with integrated posttranslational modification (PTM) discovery capability

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mzLib

Library for mass spectrometry projects

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papers-for-molecular-design-using-DL

List of molecular design using Generative AI and Deep Learning

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PIPI2

Sensitive Tag-based Database Search to Identify Peptides with Multiple Post-Translational Modifications

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Pseudocycle_small_molecule_binder

Small_molecule_binder_design_use_pseudocycles

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pytorch-book

PyTorch tutorials and fun projects including neural talk, neural style, poem writing, anime generation (《深度学习框架PyTorch:入门与实战》)

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