Pinned Repositories
AlphaPulldown
difftre
Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
jax-dimenet
Jax / Haiku implementation of DimeNet++.
jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
jax-sgmc
Stochastic Gradient MCMC for Jax
openfold
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
difftre
Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
jax-dimenet
Jax / Haiku implementation of DimeNet++.
jax-sgmc
Stochastic Gradient MCMC for Jax
S-Thaler's Repositories
S-Thaler/openfold
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
S-Thaler/AlphaPulldown
S-Thaler/difftre
Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
S-Thaler/jax-dimenet
Jax / Haiku implementation of DimeNet++.
S-Thaler/jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
S-Thaler/jax-sgmc
Stochastic Gradient MCMC for Jax
S-Thaler/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
S-Thaler/S-Thaler
S-Thaler/SITE
Sparse Identification of Truncation Errors (SITE) for Data-Driven Discovery of Modified Differential Equations