RakanFlyer's Stars
thunlp/KV-PLM
Source code for "A Deep-learning System Bridging Molecule Structure and Biomedical Text with Comprehension Comparable to Human Professionals"
Shark-NLP/DiffuSeq
[ICLR'23] DiffuSeq: Sequence to Sequence Text Generation with Diffusion Models
BingSu12/MoMu
schelotto/Wasserstein-AutoEncoders
PyTorch implementation of Wasserstein Auto-Encoders
jxhe/vae-lagging-encoder
PyTorch implementation of "Lagging Inference Networks and Posterior Collapse in Variational Autoencoders" (ICLR 2019)
awslabs/w-lda
Source code for paper "Topic Modeling with Wasserstein Autoencoders".
JunwenBai/C-GMVAE
C-GMVAE: Gaussian Mixture VAE with Contrastive Learning for Multi-Label Classification
WesleyyC/symbolic_rxn
Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction
ML-GSAI/EGSDE
Official implementation for "EGSDE: Unpaired Image-to-Image Translation via Energy-Guided Stochastic Differential Equations" (NIPS 2022)
bhavikngala/gaussian_mixture_vae
XueFuzhao/awesome-mixture-of-experts
A collection of AWESOME things about mixture-of-experts
lamypark/FlavorGraph
DeepGraphLearning/PEER_Benchmark
PEER Benchmark, appear at NeurIPS 2022 Dataset and Benchmark Track (https://arxiv.org/abs/2206.02096)
deepmodeling/Uni-Mol
Official Repository for the Uni-Mol Series Methods
drorlab/atom3d
ATOM3D: tasks on molecules in three dimensions
lauramanduchi/DC-GMM
This repository holds the code for the paper "Deep Conditional Gaussian Mixture Model forConstrained Clustering".
gcorso/torsional-diffusion
Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
RuiShu/vae-clustering
Unsupervised clustering with (Gaussian mixture) VAEs
GFNOrg/gflownet
Generative Flow Networks
kaist-amsg/LocalTransform
Predicting Organic Reactivity with LocalTransform
open-reaction-database/ord-data
Official data repository for the Open Reaction Database
arpitbansal297/Cold-Diffusion-Models
Official implementation of Cold-Diffusion for different transformations in pytorch.
openmm/spice-dataset
A collection of QM data for training potential functions
xiyou3368/DGVAE
facebookresearch/pytorch3d
PyTorch3D is FAIR's library of reusable components for deep learning with 3D data
aspuru-guzik-group/selfies
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
BoyuanJackChen/LDA_Numpy_Implementation
wenhao-gao/mol_opt
20171130/NERF
Code for our paper Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction (ICML 2021)
pschwllr/MolecularTransformer