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Large Language Models as Molecular Design Engines

Ikemen Mas Kot
6か月前

LLamol: A Dynamic Multi-Conditional Generative Transformer for De Novo Molecular Design

Ikemen Mas Kot
11か月前

ChiENN: Embracing Molecular Chirality with Graph Neural Networks

Ikemen Mas Kot
1年前

006 革新的な医農薬の開発にむけてDeveloping Innovative Medical and Agricultural Chemicals

神奈川大学ノート
2年前

KYOTO Hardtech & Health Batch 1 採択スタートアップ紹介（EXPO予習）

Harunori Oiwa (Haru)
4年前

KYOTO Hardtech & Health Batch 1 採択スタートアップ紹介

Harunori Oiwa (Haru)
4年前

Diagnosing and fixing common problems in Bayesian optimization for molecule design

Ikemen Mas Kot
5か月前

Enhancing Generative Molecular Design via Uncertainty-guided Fine-tuning of Variational Autoencoders

Ikemen Mas Kot
5か月前

Saturn: Sample-efficient Generative Molecular Design using Memory Manipulation

Ikemen Mas Kot
5か月前

AiZynthFinder 4.0: developments based on learnings from 3 years of industrial application

Ikemen Mas Kot
6か月前

Enhancing molecular design efficiency: Uniting language models and generative networks with genetic algorithms

Ikemen Mas Kot
8か月前

FragGT: Fragment-based evolutionary molecule generation with gene types

Ikemen Mas Kot
9か月前

Generation of Chemical Space of Compounds for Prostate Cancer Treatment: Biological Activity Prediction, Clustering, and Visualization of Chemical Space

Ikemen Mas Kot
1年前

Molecule Design by Latent Prompt Transformer

Ikemen Mas Kot
1年前

Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation

Ikemen Mas Kot
1年前

Language models in molecular discovery

Ikemen Mas Kot
1年前

A molecule perturbation software library and its application to study the effects of molecular design constraints

Ikemen Mas Kot
1年前

Expanding the chemical space using a Chemical Reaction Knowledge Graph

Ikemen Mas Kot
1年前

Transformer-Based Molecular Generative Model for Antiviral Drug Design

Ikemen Mas Kot
1年前

Interactive Molecular Discovery with Natural Language

Ikemen Mas Kot
1年前

Molecular Descriptors, Structure Generation, and Inverse QSAR/QSPR Based on SELFIES

Ikemen Mas Kot
1年前

Molecule generation using transformers and policy gradient reinforcement learning

Ikemen Mas Kot
1年前

MolXPT: Wrapping Molecules with Text for Generative Pre-training

Ikemen Mas Kot
1年前