@DrugTorch

A open-source machine learning platform for drug discovery developed at Mila-Quebec AI Institute

 Montreal, Canada
torchdrug.ai
Joined August 2021
  • Tweets12
  • Following27
  • Followers314
🚀 New version with the latest PyTorch support! Now you can run TorchDrug on your Apple M1/M2 chips. Thanks our awesome contributors to make this happen. github.com/DeepGraphLearning…

Release 0.2.1 Release · DeepGraphLearning/torchdrug

The new 0.2.1 release supports PyTorch 2.0 and Python 3.10. We fix quite a few bugs based on the suggestions from the community. Thanks everyone for contributing to this library. Compatibility Chan...

github.com
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🎄It's 2023! In a new post, we provide an overview of Graph ML and its subfields (and hypothesize for '23), eg Generative Models, Physics, PDEs, Theory, KGs, Algorithmic Reasoning, and more! With @ren_hongyu @zhu_zhaocheng @chrsmrrs and @jo_brandstetter mgalkin.medium.com/graph-ml-…
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Tired of gluing up different solutions from various sources by hand? In the v0.2.0 major release, TorchDrug comes with a new family member TorchProtein, and has seamlessly adapted itself from small molecule research to macro one (the protein)! 👉github.com/DeepGraphLearning…

Release 0.2.0 Release · DeepGraphLearning/torchdrug

V0.2.0 is a major release with a new family member TorchProtein, a library for machine-learning-guided protein science. Aiming at simplifying the development of protein methods, TorchProtein encaps...

github.com
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TorchProtein unifies the representations of protein sequences and structures within a compact data structure. It provides a concise framework with off-the-shelf modules, including popular protein datasets, advanced protein sequence and structure models, and various protein tasks.
TorchDrug 0.1.3 is released! This time we have W&B, the most popular tool for experiment tracking, integrated in TorchDrug. This version also introduces index reference to support fancy reference attributes. github.com/DeepGraphLearning…

Release 0.1.3 Release · DeepGraphLearning/torchdrug

TorchDrug 0.1.3 release introduces new features like W&B intergration and index reference. It also provides new functions and metrics for common development need. Note 0.1.3 has some compatibil...

github.com
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TorchDrug now supports logging through Weights & Biases platform! With just one line of code, you can log all your training progress and evaluation results to W&B and track them in your browser. Thanks @wandb for this awesome integration. wandb.ai/
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Let us know what more features you expect for our W&B logger😀
TorchDrug will be at #CDW21! Join us to get hands-on experience using our platform, TorchDrug, to build machine learning models for drug discovery! We can't wait to see you there!
Connected Data
@Connected_Data16 Nov 2021
Welcoming @zhu_zhaocheng to #CDW21 Lead developer & maintainer @DrugTorch #opensource #machinelearning platform for drug discovery developed at @Mila_Quebec #AI Institute #Masterclass: TorchDrug: A powerful & flexible #ML platform for drug discovery 2021.connected-data.world/sp…
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We'd love to share our slides for the tutorial at IVADO @IVADO_Qc . If you're also interested in drug discovery, let us know your needs for better Torchdrug development. Join us now! Slide link👉:drive.google.com/file/d/1Ckc…

TorchDrug.pdf

drive.google.com
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Thanks the PyTorch community for recognition! TorchDrug is now a part of the PyTorch ecosystem.
PyTorch
@PyTorch25 Oct 2021
Drug research and development is an arduous and expensive process. Using PyTorch, TorchDrug expedites the time and reduces the cost of developing drugs. Read more below: medium.com/pytorch/torchdrug…

TorchDrug: A Drug Discovery Platform in PyTorch

Drug discovery is a long and costly process, taking on average 10 years and $2.5 billion to develop a drug. Machine learning can be used to…

medium.com
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New release 0.1.2! Many updates include interactive Colab tutorials, new data structures and functions for edge pattern matching and batching of irregular structures, new datasets and many bug fixes. Checkout our release highlights👉: github.com/DeepGraphLearning…

Release 0.1.2 Release · DeepGraphLearning/torchdrug

0.1.2 Release Notes The recent 0.1.2 release of TorchDrug is an update on Colab tutorials, data structures, functions, datasets and bug fixes. We are grateful to see growing interests and involveme...

github.com
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Jian Tang (@tangjianpku) of Mila and @HEC_Montreal and his team launch #TorchDrug: an open-source ML platform aimed at making AI #drugdiscovery software and librairies freely available to the research community. mila.quebec/en/a-team-led-by…

A team led by Mila researcher Jian Tang launches TorchDrug, an open-source platform for drug...

Jian Tang, Mila faculty member and Assistant Professor at HEC Montréal, as well as Mila students and collaborators from Tsinghua University, Peking University, and Shanghai Jiao Tong University,...

mila.quebec
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