amirtha-montai

amirtha-montai's Stars

• recursionpharma/mole_public

  Recursion's molecular foundation model

  Language:Python351

• HarisIqbal88/PlotNeuralNet

  Latex code for making neural networks diagrams

  Language:TeX22.5k2.9k

• junxia97/awesome-pretrain-on-molecules

  [IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models

  50253

• OmicsML/awesome-molecule-protein-pretrain-papers

  333

• AndMastro/EdgeSHAPer

  EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks

  Language:Jupyter Notebook241

• mims-harvard/TDC

  Therapeutics Commons (TDC-2): Multimodal Foundation for Therapeutic Science

  Language:Jupyter Notebook1k176

• asarigun/awesome-denovo-papers

  Awesome De novo drugs design papers

  8511

• kochgroup/intro_pharma_ai

  A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.

  Language:Jupyter Notebook13925

• SarthakTiwari/Rationales-extaction-from-active-molecules

  rationales are molecule substructures that drive specific properties of interest

  Language:Python2

• divelab/DIG

  A library for graph deep learning research

  Language:Python1.9k284

• PatWalters/practical_cheminformatics_posts

  Practical Cheminformatics Blog Posts

  Language:Jupyter Notebook5510

• wengong-jin/multiobj-rationale

  Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)

  Language:Python14341

• deepchem/DeepLearningLifeSciences

  Example code from the book "Deep Learning for the Life Sciences"

  Language:Jupyter Notebook362153

• google-research/tuning_playbook

  A playbook for systematically maximizing the performance of deep learning models.

  27.7k2.3k

• chemprop/chemprop

  Message Passing Neural Networks for Molecule Property Prediction

  Language:Python1.8k598

• flyingdoog/awesome-graph-explainability-papers

  Papers about explainability of GNNs

  67468

• AI4LIFE-GROUP/OpenXAI

  OpenXAI : Towards a Transparent Evaluation of Model Explanations

  Language:JavaScript23540

• anguyen8/XAI-papers

  56580

• pbiecek/xai_resources

  Interesting resources related to XAI (Explainable Artificial Intelligence)

  Language:R819139

• EthicalML/xai

  XAI - An eXplainability toolbox for machine learning

  Language:Python1.1k175

• samzabdiel/XAI

  Papers and code of Explainable AI esp. w.r.t. Image classificiation

  Language:Jupyter Notebook19929

• gozsari/Awesome-GNN-based-drug-discovery

  This is a curated list of research papers, resources and tools related to using Graph Neural Networks (GNNs) for drug discovery.

  457