Pinned Repositories
aabo
ab_ag_bound_structure_pred
alphafold_pytorch
An implementation of the DeepMind's AlphaFold based on PyTorch for research
botorch
Bayesian optimization in PyTorch
constrained-lolbo
lolbo with added constraints using SCBO
dockbo
Uses TuRBO on top of lightdock to improve optimization of protein-ligand configuration
esm
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
lolbo
robot
nataliemaus's Repositories
nataliemaus/lolbo
nataliemaus/robot
nataliemaus/constrained-lolbo
lolbo with added constraints using SCBO
nataliemaus/dockbo
Uses TuRBO on top of lightdock to improve optimization of protein-ligand configuration
nataliemaus/aabo
nataliemaus/ab_ag_bound_structure_pred
nataliemaus/alphafold_pytorch
An implementation of the DeepMind's AlphaFold based on PyTorch for research
nataliemaus/botorch
Bayesian optimization in PyTorch
nataliemaus/esm
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
nataliemaus/genetic-expert-guided-learning
nataliemaus/guacamol_supervised_performance
nataliemaus/HEBO
Bayesian optimisation library developped by Huawei Noah's Ark Library
nataliemaus/hgraph2graph
Hierarchical Generation of Molecular Graphs using Structural Motifs
nataliemaus/iclr19-graph2graph
Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)
nataliemaus/icml18-jtnn
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
nataliemaus/joco_icml24
nataliemaus/lolbo-cleaner
nataliemaus/moses
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
nataliemaus/nataliemaus
Config files for my GitHub profile.
nataliemaus/noah-research
Noah Research
nataliemaus/plausibleBO
Plausible BO project
nataliemaus/progen
Official release of the ProGen models
nataliemaus/protein-structure-optimization
Optimize AA seqs with desired folded 3D structure
nataliemaus/selfies
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
nataliemaus/Smiles-TO-iUpac-Translator
NMT based SMILES to IUPAC Translator
nataliemaus/svgp
nataliemaus/temp123
run temp
nataliemaus/textgen
Random text generator built with PyTorch
nataliemaus/train-vae
Train VAE on sequence data (molecules, amino acid sequences, etc)