Gotta be SAFE: A New Framework for Molecular Design

Gotta be SAFE: A New Framework for Molecular Design

16 October 2023

Emmanuel Noutahi

Cristian Gabellini

Jonathan S.C Lim

Prudencio Tossou

Papers citing "Gotta be SAFE: A New Framework for Molecular Design"

10 / 10 papers shown

Title
FragFM: Efficient Fragment-Based Molecular Generation via Discrete Flow Matching Joongwon Lee Seonghwan Kim Wou Youn Kim 43 0 0 19 Feb 2025
Molecule Generation with Fragment Retrieval Augmentation Seul Lee Karsten Kreis Srimukh Prasad Veccham Meng Liu Danny Reidenbach Saee Paliwal Arash Vahdat Weili Nie VLM 73 1 0 18 Nov 2024
SAFE setup for generative molecular design Yassir El Mesbahi Emmanuel Noutahi 26 0 0 26 Oct 2024
A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction Rıza Özçelik F. Grisoni 35 2 0 16 Jul 2024
Generative Model for Small Molecules with Latent Space RL Fine-Tuning to Protein Targets Ulrich A. Mbou Sob Qiulin Li Miguel Arbesú Oliver E. Bent Andries P. Smit Arnu Pretorius 26 1 0 02 Jul 2024
MatText: Do Language Models Need More than Text & Scale for Materials Modeling? Nawaf Alampara Santiago Miret K. Jablonka 50 8 0 25 Jun 2024
ACEGEN: Reinforcement learning of generative chemical agents for drug discovery Albert Bou Morgan Thomas Sebastian Dittert Carles Navarro Ramírez Maciej Majewski ... Mazen Ahmad Vincent Moens Woody Sherman Simone Sciabola Gianni de Fabritiis 40 4 0 07 May 2024
Probabilistic Generative Transformer Language models for Generative Design of Molecules Lai Wei Nihang Fu Yuqi Song Qian Wang Jianjun Hu AI4CE 31 11 0 20 Sep 2022
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models Daniil Polykovskiy Alexander Zhebrak Benjamín Sánchez-Lengeling Sergey Golovanov Oktai Tatanov ... Simon Johansson Hongming Chen Sergey I. Nikolenko Alán Aspuru-Guzik Alex Zhavoronkov ELM 179 633 0 29 Nov 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 224 1,337 0 12 Feb 2018