bondrewd Goto Github PK

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, ... 🧠

aoc

awesome-diffusion-models

A collection of resources and papers on Diffusion Models

awesome-graph-neural-networks

Paper Lists for Graph Neural Networks

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

bondrewd.github.io

calculate-bilayer-power-spectrum

cg2all

Convert coarse-grained protein structure to all-atom model

confgf

Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).

cuda-training-series

Training materials associated with NVIDIA's CUDA Training Series (www.olcf.ornl.gov/cuda-training-series/)

deep-learning-from-scratch-5

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.

e3_diffusion_for_molecules

egnn

examples

A set of examples around pytorch in Vision, Text, Reinforcement Learning, etc.

fastai.jl

Repository of best practices for deep learning in Julia, inspired by fastai

genesis_cg_tool

Prepare topology and coordinate file for CG models in Genesis.

genesiscgtool.jl

geodiff

Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).

geometric-gnns

List of Geometric GNNs for 3D atomic systems

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.

julia

The Julia Programming Language

md_methods-and-analysis

Repository for MD methods and analysis from submitted or published work