Davidmingsegura
Currently in master studies in Chemistry at EPFL You can contact me at: David.segura@epfl.ch
Pinned Repositories
cagey
Davidmingsegura
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
intro-to-pull-request
LLM4Chem
Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"
MolPAL_active_learning_leveraging
Parrot
Implementation of reaction condition prediction with Parrot
ppchem
practical-programming-in-chemistry-exercises
PPchem_DDIP
Davidmingsegura's Repositories
Davidmingsegura/cagey
Davidmingsegura/Davidmingsegura
Davidmingsegura/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Davidmingsegura/intro-to-pull-request
Davidmingsegura/LLM4Chem
Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"
Davidmingsegura/MolPAL_active_learning_leveraging
Davidmingsegura/Parrot
Implementation of reaction condition prediction with Parrot
Davidmingsegura/ppchem
Davidmingsegura/practical-programming-in-chemistry-exercises
Davidmingsegura/Project4chem_drugdisc
Davidmingsegura/practical-programming-in-chemistry-milestones
Davidmingsegura/rxnmapper
RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).