AttentiveNader's Stars
pyg-team/pytorch_geometric
Graph Neural Network Library for PyTorch
JavierAntoran/Bayesian-Neural-Networks
Pytorch implementations of Bayes By Backprop, MC Dropout, SGLD, the Local Reparametrization Trick, KF-Laplace, SG-HMC and more
facebookresearch/higher
higher is a pytorch library allowing users to obtain higher order gradients over losses spanning training loops rather than individual training steps.
CuriousAI/mean-teacher
A state-of-the-art semi-supervised method for image recognition
DeepGraphLearning/torchdrug
A powerful and flexible machine learning platform for drug discovery
atong01/conditional-flow-matching
TorchCFM: a Conditional Flow Matching library
dauparas/ProteinMPNN
Code for the ProteinMPNN paper
a-r-j/graphein
Protein Graph Library
arvkevi/kneed
Knee point detection in Python :chart_with_upwards_trend:
lucidrains/ema-pytorch
A simple way to keep track of an Exponential Moving Average (EMA) version of your Pytorch model
danieltan07/learning-to-reweight-examples
PyTorch Implementation of the paper Learning to Reweight Examples for Robust Deep Learning
TorchSpatiotemporal/tsl
tsl: a PyTorch library for processing spatiotemporal data.
DeepGraphLearning/GearNet
GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)
hetio/hetionet
Hetionet: an integrative network of disease
uber-research/learning-to-reweight-examples
Code for paper "Learning to Reweight Examples for Robust Deep Learning"
OATML-Markslab/ProteinGym
Official repository for the ProteinGym benchmarks
chrsmrrs/k-gnn
Source code for our AAAI paper "Weisfeiler and Leman Go Neural: Higher-order Graph Neural Networks".
Kuhlman-Lab/ThermoMPNN
GNN trained to predict changes in thermodynamic stability for protein point mutants
chrhenning/hypnettorch
Package for working with hypernetworks in PyTorch.
MachineLearningLifeScience/meaningful-protein-representations
causalNLP/cladder
We develop benchmarks and analysis tools to evaluate the causal reasoning abilities of LLMs.
BorgwardtLab/proteinshake
Protein structure datasets for machine learning.
OATML-Markslab/ProteinNPT
Official code repository for the paper "ProteinNPT: Improving Protein Property Prediction and Design with Non-Parametric Transformers"
brandontrabucco/design-bench
Benchmarks for Model-Based Optimization
yobibyte/ml-drug-discovery-tldrs
TLDRs for ML in Drug Discovery papers
ml-jku/hyper-dti
HyperPCM: Robust task-conditioned modeling of drug-target interactions
LSSI-ETH/meta-learning-for-protein-engineering
Meta learning addresses noisy and under-labeled data in machine learning-guided antibody engineering (https://doi.org/10.1016/j.cels.2023.12.003)
BorgwardtLab/fisher_information_embedding
Official code for Fisher information embedding for node and graph learning (ICML 2023)
tung-nd/ExPT
JiyangZhang/learning-to-reweight-in-relation-extraion