NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models

19 November 2024

Papers citing "NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models"

6 / 6 papers shown

Title
Searching for High-Value Molecules Using Reinforcement Learning and Transformers Raj Ghugare Santiago Miret Adriana Hugessen Mariano Phielipp Glen Berseth 80 17 0 04 Oct 2023
ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Prediction Seyone Chithrananda Gabriel Grand Bharath Ramsundar AI4CE 98 414 0 19 Oct 2020
Hierarchical Generation of Molecular Graphs using Structural Motifs Wengong Jin Regina Barzilay Tommi Jaakkola 90 289 0 08 Feb 2020
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 294 653 0 29 Nov 2018
Fréchet ChemNet Distance: A metric for generative models for molecules in drug discovery Kristina Preuer Philipp Renz Thomas Unterthiner Sepp Hochreiter Günter Klambauer MedIm 98 340 0 26 Mar 2018
SMILES Enumeration as Data Augmentation for Neural Network Modeling of Molecules E. Bjerrum 72 295 0 21 Mar 2017