Pinned Repositories
alchemiscale
a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home
astronvim_with_coc_or_mason
astronvim_config
burn
Burn is a new comprehensive dynamic Deep Learning Framework built using Rust with extreme flexibility, compute efficiency and portability as its primary goals.
CRENSO
Scripts to automate CREST and CENSO for calculating various properties
cv
dioxus-spline
DockerBuildRosetta
dotfiles
LilDojd's Repositories
LilDojd/dioxus-spline
LilDojd/DockerBuildRosetta
LilDojd/dotfiles
LilDojd/alchemiscale
a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home
LilDojd/astronvim_with_coc_or_mason
astronvim_config
LilDojd/burn
Burn is a new comprehensive dynamic Deep Learning Framework built using Rust with extreme flexibility, compute efficiency and portability as its primary goals.
LilDojd/CRENSO
Scripts to automate CREST and CENSO for calculating various properties
LilDojd/cv
LilDojd/cv-pretty
LilDojd/docker-openmm-compile
dockerfile for openmm with CUDA 11.8
LilDojd/openff-bespokefit
Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.
LilDojd/fastshmul
Fast and accurate spherical harmonics products in rust
LilDojd/gufe
grand unified free energy by OpenFE
LilDojd/openmmforcefields
CHARMM and AMBER forcefields for OpenMM (with small molecule support)