2019mohamed's Stars
pytorch/torchtune
PyTorch native finetuning library
bytedance/Protenix
A trainable PyTorch reproduction of AlphaFold 3.
ikostrikov/pytorch-flows
PyTorch implementations of algorithms for density estimation
openmm/pdbfixer
PDBFixer fixes problems in PDB files
apple/ml-cross-entropy
KellerJordan/Muon
Muon optimizer for neural networks: >30% extra sample efficiency, <3% wallclock overhead
UCSC-REAL/negative-label-smoothing
[ICML2022 Long Talk] Official Pytorch implementation of "To Smooth or Not? When Label Smoothing Meets Noisy Labels"
grimme-lab/dxtb
Efficient And Fully Differentiable Extended Tight-Binding
andres-fr/skerch
Sketched matrix decompositions for PyTorch
etowahadams/interprot
AstraZeneca/DiffAbXL
The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs", formerly titled "Benchmarking Generative Models for Antibody Design".
graphgeeks-lab/awesome-graph-universe
A curated list of resources for graph-related topics, including graph databases, analytics and science
huzecong/argtyped
Command line argument parser, with types.
Minys233/Dynaformer
styalai/xLSTM-pytorch
A easy to use implementation of xLSTM
HySonLab/LatentDE
Latent-based Directed Evolution guided by Gradient Ascent for Protein Design
uci-cbcl/esm-efficient
CarbonMatrixLab/AbX
Official open-source of Antibody Design Using a Score-based Diffusion Model Guided by Evolutionary, Physical, and Geometric Constraints
azminewasi/Awesome-MoML-NeurIPS24
ALL Molecular ML papers from NeurIPS'24.
hegdepashupati/gaussian-process-odes
Implementation of the work Variational multiple shooting for Bayesian ODEs with Gaussian processes
ml-jku/Prot-xLSTM
AI4SCR/conditional-monge
Extension of the Monge Gap to learn conditional optimal transport maps
hnisonoff/discrete_guidance
Code for our paper "Unlocking Guidance for Discrete State-Space Diffusion and Flow Models"
senmaoy/RAT-Diffusion
A small diffusion model for text-to-image generation
NREL-Distribution-Suites/gridai
cairo-thws/XAIDIFF
A framework for local example-based explanations with generative models.
kyunghyuncho/empirical-testing
MauroCE/MLFlowDagsterOptunaExample
A simple example of performing hyperparameter search with Optuna, MLFlow and Dagster
petrus-mikkola/prefflow
Preferential Normalizing Flows
uhlerlab/observational-crl