Diego Ugarte's repositories
annotated_deep_learning_paper_implementations
🧑🏫 60 Implementations/tutorials of deep learning papers with side-by-side notes 📝; including transformers (original, xl, switch, feedback, vit, ...), optimizers (adam, adabelief, sophia, ...), gans(cyclegan, stylegan2, ...), 🎮 reinforcement learning (ppo, dqn), capsnet, distillation, ... 🧠
Awesome-Diffusion-Models
A collection of resources and papers on Diffusion Models
awesome-molecular-generation
Awesome papers related to generative molecular modeling and design.
awesome-protein-representation-learning
Awesome Protein Representation Learning
bgflow
Boltzmann Generators and Normalizing Flows in PyTorch
bio-diffusion
A PyTorch hub of denoising diffusion probabilistic models designed to generate novel biological data
cg2all
Convert coarse-grained protein structure to all-atom model
GraphNeuralNetworks.jl
Graph Neural Networks in Julia
handson-ml3
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
Molly.jl
Molecular simulation in Julia
darknet
Convolutional Neural Networks
DeepLearningExamples
State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.
DiAMoNDBack
DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces
DiffLinker
DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
DiffSBDD
A Euclidean diffusion model for structure-based drug design.
dssp
Application to assign secondary structure to proteins
examples
A set of examples around pytorch in Vision, Text, Reinforcement Learning, etc.
geometric-gnns
List of Geometric GNNs for 3D atomic systems
kickstart.nvim
A launch point for your personal nvim configuration
pdbfixer
PDBFixer fixes problems in PDB files
pytorch
Tensors and Dynamic neural networks in Python with strong GPU acceleration
two-for-one-diffusion
This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and force fields for coarse-grained molecular dynamics.
Umol
Protein-ligand structure prediction