Pinned Repositories
espaloma
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
pinot
Probabilistic Inference for NOvel Therapeutics
_bronx
Bayesian Rewiring Networks
egnn_dgl
Implementation of EGNN (E(n) Equivariant Graph Neural Networks, https://arxiv.org/pdf/2102.09844.pdf) using DGL
eng110
ENG110: Freshman Composition @ City College of New York
galax
Graph Learning with JAX
malt
Molecular Active Learning Testbed
rum
Random walk unit with memory
scotch
Scientific Computing from Scratch
stag
Stochastic Aggregation in Graph Neural Networks
yuanqing-wang's Repositories
yuanqing-wang/rum
Random walk unit with memory
yuanqing-wang/scotch
Scientific Computing from Scratch
yuanqing-wang/sake
Spatial Attention Kinetic Networks with E(n)-Equivariance
yuanqing-wang/_bronx
Bayesian Rewiring Networks
yuanqing-wang/junmai
Dot product-based one layer network.
yuanqing-wang/rye
Recurrent equivariant neural networks
yuanqing-wang/bronx
Bayesian Reasoning on Networks
yuanqing-wang/_mudslide
Machine learning-assisted Ultrafast Druglike Small molecule Library Design
yuanqing-wang/aperol
Automatic Proposal of Equivariant Models
yuanqing-wang/bklyn
Bayesian Kernel Learning on Nodes
yuanqing-wang/chem-ga-2600
yuanqing-wang/colt
Chemoinformatics Oracles for LLM Training
yuanqing-wang/compchem-class
yuanqing-wang/cv
yuanqing-wang/generate
implementation of popular generative models
yuanqing-wang/gnt
Graph theory tasks for LLMs
yuanqing-wang/grapevine
Graph Gaussian Processes with Variational Inference
yuanqing-wang/jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
yuanqing-wang/lean
Learn to Anneal
yuanqing-wang/lillet
LInear-compLexity Lightweight Equivariant Transformer
yuanqing-wang/modelforge
Infrastructure to implement and train NNPs
yuanqing-wang/mudslide
Molecular Dynamic Simulation, Differentiable
yuanqing-wang/mule
Minimization upon learning
yuanqing-wang/openmm-cookbook
Proof-of-concept for the OpenMM Cookbook
yuanqing-wang/pyro
Deep universal probabilistic programming with Python and PyTorch
yuanqing-wang/sling
Single-Layer Invariant Graph Neural Networks
yuanqing-wang/spritz
Invariance by Pre-training and Auto-differentiation
yuanqing-wang/stinger
Science and Technology Impactful Narrative Generation
yuanqing-wang/SuperTinyIcons
Under 1KB each! Super Tiny Icons are miniscule SVG versions of your favourite website and app logos
yuanqing-wang/wangyq.net