haofengLX

haofengLX's Stars

• Kohulan/DECIMER-Image_Transformer

  DECIMER: Deep Learning for Chemical Image Recognition using Efficient-Net V2 + Transformer

  Language:Python18950

• molML/s4-for-de-novo-drug-design

  The official codebase of the paper "Chemical language modeling with structured state space sequence models"

  Language:HTML525

• scikit-learn/scikit-learn

  scikit-learn: machine learning in Python

  Language:Python59.6k25.3k

• microsoft/FLAML

  A fast library for AutoML and tuning. Join our Discord: https://discord.gg/Cppx2vSPVP.

  Language:Jupyter Notebook3.9k504

• tldraw/tldraw

  SDK for creating whiteboards and canvas experiences on the web.

  Language:TypeScript35.4k2.1k

• Computer-Aided-Drug-Design/AIDD-Tutorial

  Artificial Intelligence Drug Design Tutorial, 人工智能药物设计教程

  346

• MolecularAI/REINVENT4

  AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

  Language:Python32679

• JacksonBurns/mordred-community

  Community-Maintained Version of mordred

  Language:Python413

• 595693085/DGraphDTA

  a novel DTA predition method using graph neural network

  Language:Python7040

• Novartis/pQSAR

  Massively multitask stacked model for predicting activity of thousands of biological assays

  Language:Python306

• unlock-music/cli

  Unlock Music Project - CLI Edition

  730190

• LLNL/FAST

  Fusion models for Atomic and molecular STructures (FAST)

  Language:Python8931

• Merck/DeepNeuralNet-QSAR

  Language:Python6526

• gnina/gnina

  A deep learning framework for molecular docking

  Language:C++602144

• sekijima-lab/SIEVE-Score

  SIEVE-Score: interaction energy-based virtual screening method based on random forest.

  Language:Python148

• volkamerlab/teachopencadd

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

  Language:Jupyter Notebook756202

• IBM/controlled-peptide-generation

  source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics"

  Language:Python9830

• dengjianyuan/Survey_AI_Drug_Discovery

  30664

• MolecularAI/Reinvent

  Language:Python337108