Research Scientist at @InSilicoMeds
Joined January 2018
- Tweets 29
- Following 143
- Followers 124
- Likes 228
13 Photos and videos
Maksim Kuznetsov retweeted
5 Mar 2025
I am excited to share that our BindGPT paper won the best poster award at @RealAAAI #AAAI2025! Congratulations to the team! Work led by @artemZholus!
27 Feb 2025
What's the foundational model for generative chemistry? Our work, BindGPT, is a good candidate, and it will be presented at #AAAI2025 today! We built a simple transformer language model that beats diffusion models by just generating 3D molecules as text! Led by @artemZholus 1/n
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28 Feb 2025
1/ At @InSilicoMeds, we’re exploring how language models can process and generate 3D molecular structures.
nach0-pc fuses a specialized text-based representation with a domain-specific encoder, enabling precise generation and conditioning on 3D molecular structures.
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28 Feb 2025
6/ By injecting noise into point clouds, nach0-pc can generate alternative molecular structures that retain reference molecule shape.
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28 Feb 2025
7/ Finally, nach0-pc enables de novo ligand generation, designing molecules that bind to protein pockets.
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28 Feb 2025
🎉 Excited to announce that "nach0-pc: Multi-task Language Model with Molecular Point Cloud Encoder" will be presented at @RealAAAI!
#AAAI2025 #AAAI25
📍 Poster #166
🕜 12:30 PM - 2:30 PM, March 1, 2025
📄 Paper: arxiv.org/abs/2410.09240
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Maksim Kuznetsov retweeted
27 Feb 2025
BindGPT is going to be presented at AAAI 25 today.
Work led by my PhD student @artemZholus in collaboration with @InSilicoMeds
Don’t miss 10/10
bindgpt.github.io/
arxiv.org/abs/2406.03686
huggingface.co/insilicomedic…
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20 May 2024
Excited to present our new paper nach0 from @InSilicoMeds, in collaboration with @nvidia, published in @ChemicalScience:
📄 Paper: pubs.rsc.org/doi/d4sc00966e
💻 Code: github.com/insilicomedicine/…
🤗 Try it now on @huggingface: huggingface.co/insilicomedic…
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29 Apr 2024
Our new paper from @InSilicoMeds on neural conformation generation at @JCIM_JCTC
“COSMIC: Molecular Conformation Space Modeling in Internal Coordinates with an Adversarial Framework”
Paper: pubs.acs.org/doi/full/10.102…
Code: github.com/insilicomedicine/…
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5 Feb 2021
Happy to present our latest results in
@InSilicoMeds on molecular graph generation at #AAAI2021!
Check out our joint work with @d_polykovskiy “MolGrow: A Graph Normalizing Flow for Hierarchical Molecular Generation” at poster session on
5-Feb, 08:45-10:30 AM & 04:45-06:30 PM PST
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Maksim Kuznetsov retweeted
17 Apr 2020
Our new paper with @InSilicoMeds: "Molecular Generation for Desired Transcriptome Changes With AAE". We propose a joint model that can sample molecules for a given transcriptome change and vise versa.
Paper: frontiersin.org/articles/10.…
Code: github.com/insilicomedicine/…
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Maksim Kuznetsov retweeted
11 Apr 2020
Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders.
"In this paper, we propose a new generative model that infers drug molecules that could induce a desired change in gene expression"
In #pytorch #pytorchLightning
github.com/insilicomedicine/…
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Maksim Kuznetsov retweeted
5 Mar 2020
Check out our #AISTATS paper from @InSilicoMeds: “Deterministic Decoding for Discrete Data in Variational Autoencoders”. Apparently, for lossless decoding, you need bounded support proposals!
arxiv.org/abs/2003.02174
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30 Oct 2019
I’m excited to share our new paper at #Neurips2019 with @d_polykovskiy, @alex_zhebrak, and Dmitry Vetrov made in @InSilicoMeds!
A Prior of a Googol Gaussians: a Tensor Ring Induced Prior for Generative Models: arxiv.org/abs/1910.13148
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2 Sep 2019
Check out a new paper from @InSilicoMeds in @NatureBiotech on the rapid compound hypothesis generation and testing with a powerful combination of variational inference, tensorial methods, and reinforcement learning!
paper: nature.com/articles/s41587-0…
code: github.com/insilicomedicine/…
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