datamol.io

@datamol_io

An open source toolkit, developed by and for the machine learning community, that simplifies molecular processing and featurization workflows.

datamol.io

Joined January 2021

Pinned
datamol.io
@datamol_io
Dec 8, 2023
Introducing Medchem, an open source Python library for molecular filtering and prioritization. It includes hundreds of molecular filters, alerts, and rules, both established and novel. Read the blog by @HadiM_ for more details: portal.valencelabs.com/blogs/post/int…
datamol.io
@datamol_io
Jun 21, 2024
Spotted some molfeat users at the @Polaris_HQ hackathon 👀 They're searching for quick and easy ways to test different molecular featurizers. molfeat.datamol.io/featurizers
00:00
datamol.io
@datamol_io
Dec 14, 2023
Catch @ENoutahi @craigmichaelm @TOSSOUPrudencio @jonathanlimsc at #NeurIPS tomorrow! They'll be presenting the SAFE paper at two workshops between 12:00 and 2:30 CST. See below for more details.👇
Valence Labs
@valence_ai
Dec 14, 2023
Introducing SAFE, Sequential Attachment-based Fragment Embedding, a novel molecular line notation that redefines molecular design tasks as simple autoregressive sequence generation. 🧵
00:00
datamol.io
@datamol_io
Nov 16, 2023
Looking for events that bring the TechBio community together? Check out the mixers happening at Oxford and Cambridge next week.
Valence Labs
@valence_ai
Nov 16, 2023
We’re hosting two TechBio mixer events next week! One co-hosted with @mmbronstein in Oxford, and one hosted on campus @cambridge_uni. Join us for an evening of dinner, drinks, and discussions on accelerating AI with drug discovery. RSVP through the event pages below.👇
datamol.io
@datamol_io
Jul 5, 2023
Today, we are excited to introduce Graphium into the datamol.io ecosystem! Graphium is a powerful and flexible Python library for training molecular GNNs at scale.🚀♾️ Try it out today: github.com/datamol-io/gra…
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