shenwanxiang

shenwanxiang's Stars

• mmistakes/minimal-mistakes

  :triangular_ruler: Jekyll theme for building a personal site, blog, project documentation, or portfolio.

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• diff-usion/Awesome-Diffusion-Models

  A collection of resources and papers on Diffusion Models

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• phlippe/uvadlc_notebooks

  Repository of Jupyter notebook tutorials for teaching the Deep Learning Course at the University of Amsterdam (MSc AI), Fall 2023

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• PatWalters/practical_cheminformatics_tutorials

  Practical Cheminformatics Tutorials

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• volkamerlab/teachopencadd

  TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

  Language:Jupyter Notebook78631161209

• poloclub/dodrio

  Exploring attention weights in transformer-based models with linguistic knowledge.

  Language:Svelte3486931

• pengxingang/Pocket2Mol

  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets

  Language:Python26994073

• AngelRuizMoreno/Jupyter_Dock

  Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

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• cbouy/mols2grid

  Interactive molecule viewer for 2D structures

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• blender-nlp/MolT5

  Associated Repository for "Translation between Molecules and Natural Language"

  Language:Python16031121

• greglandrum/rdkit_blog

  RDKit related blog posts, notebooks, and data.

  Language:Jupyter Notebook121161244

• zaixizhang/PocketGen

  PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets

  Language:Python1211910

• aspuru-guzik-group/GA

  Code for the paper: Augmenting genetic algorithms with deep neural networks for exploring the chemical space

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• ChrisRackauckas/JupyterSite

  Create a Site from Jupyter Notebooks

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• JinmiaoChenLab/GraphST

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• coleygroup/pyscreener

  pythonic interface to virtual screening software

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• Saad888/AutoSynthesis

  Autocrafter for Final Fantasy XIV (Successor to AutoHotCraft)

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• genialis/RNAnorm

  Normalization of RNA-seq gene expression

  Language:Python71101315

• OmicsML/CellPLM

  Official repo for CellPLM: Pre-training of Cell Language Model Beyond Single Cells.

  Language:Jupyter Notebook683206

• epigenelabs/inmoose

  InMoose is the INtegrated Multi Omic Open Source Environment. It is a collection of tools for the analysis of omic data.

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• patonlab/DBSTEP

  DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure format

  Language:Python51389

• bedapub/besca

  BESCA (Beyond Single Cell Analysis) offers python functions for single-cell analysis

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• Bayer-Group/xsmiles

  Visualize atom and non-atom attributions and SMILES strings

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• oytang/AI-Rex

  An integrated framework for chemical reaction feasibility prediction. This is a structured solution for one of the Chemistry Challenges of ai4science hackathon (https://ai4science.io/).

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• shenwanxiang/ACANet

  Contrastive learning of structure-activity relationship

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• predomics/predomicspkg

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• bidd-group/MPCD

  benchmark datasets of low-sample size narrow scaffold inhibitors

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• calvinmccarter/condo-adapter

  Towards Backwards-Compatible Data with Confounded Domain Adaptation (TMLR, 2024)

  Language:Jupyter Notebook4110

• shenwanxiang/aggmap-megma

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• Mobupion/Therapeutic-Response-Prediction

  Deep Learning of 2D-Restructured Gene Expression Representations for Improved Low-Sample Therapeutic Response Prediction

  Language:Jupyter Notebook2100