vbhethan

AmortizedCausalDiscovery

Code for the paper: Amortized Causal Discovery: Learning to Infer Causal Graphs from Time-Series Data

ash

ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit solution, crystal or protein environment.

dotfiles

Hartree-Fock-in-CPP

Hartree-Fock code written in full C++ standard

NAMD-scripts

NRI

Neural relational inference for interacting systems - pytorch

NRI-MD

Neural relational inference for molecular dynamics simulations

torch-gauge

A light-weight PyTorch extension for equivariant deep learning

vbhethan.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

xtb

Semiempirical Extended Tight-Binding Program Package

vbhethan/NAMD-scripts

vbhethan/AmortizedCausalDiscovery

Code for the paper: Amortized Causal Discovery: Learning to Infer Causal Graphs from Time-Series Data

vbhethan/ash

ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit solution, crystal or protein environment.

vbhethan/dotfiles

vbhethan/Hartree-Fock-in-CPP

Hartree-Fock code written in full C++ standard

vbhethan/NRI

Neural relational inference for interacting systems - pytorch

vbhethan/NRI-MD

Neural relational inference for molecular dynamics simulations

vbhethan/torch-gauge

A light-weight PyTorch extension for equivariant deep learning

vbhethan/vbhethan.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

vbhethan/xtb

Semiempirical Extended Tight-Binding Program Package

vbhethan/zsh-syntax-highlighting

Fish shell like syntax highlighting for Zsh.