Harrydirk41's Stars
flatironinstitute/PointCloud_Regression
Point Cloud regression with new algebraic representation on ModelNet dataset (ICCV 2023)
malbergo/stochastic-interpolants
atong01/conditional-flow-matching
TorchCFM: a Conditional Flow Matching library
baker-laboratory/RoseTTAFold-All-Atom
aqlaboratory/proteinnet
Standardized data set for machine learning of protein structure
choderalab/kinase-metadynamics
To run metadynamics simulations using openMM (based on Peter Eastman's script)
Dao-AILab/flash-attention
Fast and memory-efficient exact attention
aqlaboratory/openfold
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
MDAnalysis/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
bjing2016/alphaflow
AlphaFold Meets Flow Matching for Generating Protein Ensembles
williamgilpin/pypdb
A Python API for the RCSB Protein Data Bank (PDB)
libAtoms/QUIP
libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
atomistic-machine-learning/field_schnet
BarakHirshberg/resettingMetadynamics
apple/ml-ferret
AaltoML/generative-inverse-heat-dissipation
Code release for the paper Generative Modeling With Inverse Heat Dissipation
yuyangw/MolCLR
Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
amusi/Deep-Learning-Interview-Book
深度学习面试宝典(含数学、机器学习、深度学习、计算机视觉、自然语言处理和SLAM等方向)
THUDM/ProteinLM
Protein Language Model
openai/CLIP
CLIP (Contrastive Language-Image Pretraining), Predict the most relevant text snippet given an image
DEShawResearch/sns-mp2
lucidrains/invariant-point-attention
Implementation of Invariant Point Attention, used for coordinate refinement in the structure module of Alphafold2, as a standalone Pytorch module
ShintaroMinami/PyDSSP
A simplified implementation of DSSP algorithm for PyTorch and NumPy
CompVis/stable-diffusion
A latent text-to-image diffusion model
Stability-AI/stablediffusion
High-Resolution Image Synthesis with Latent Diffusion Models
ikostrikov/pytorch-flows
PyTorch implementations of algorithms for density estimation
vgsatorras/en_flows
ELIFE-ASU/INNLab
A python/pytorch package for invertible neural networks
Shark-NLP/DiffuSeq
[ICLR'23] DiffuSeq: Sequence to Sequence Text Generation with Diffusion Models
google-deepmind/materials_discovery