chrissly31415

amimanera

code collection machine learning

fastai-v3

Starter app for fastai v3 model deployment on Render

flash

Implementation of self-consistent Scheutjens-Fleer theory for polymers

gaussian_process_molecules

Some scripts for developing a QSAR model using gaussian processes and deploying them in the browser

GraphGPS

Recipe for a General, Powerful, Scalable Graph Transformer

mamba-rust

nwchem

NWChem: Open Source High-Performance Computational Chemistry

poly-rs

rdkitcffi

Rust wrapper for the RDKit using CFFI

smuRF

tree based machine learning code

chrissly31415/rdkitcffi

Rust wrapper for the RDKit using CFFI

chrissly31415/amimanera

code collection machine learning

chrissly31415/fastai-v3

Starter app for fastai v3 model deployment on Render

chrissly31415/flash

Implementation of self-consistent Scheutjens-Fleer theory for polymers

chrissly31415/gaussian_process_molecules

Some scripts for developing a QSAR model using gaussian processes and deploying them in the browser

chrissly31415/GraphGPS

Recipe for a General, Powerful, Scalable Graph Transformer

chrissly31415/mamba-rust

chrissly31415/nwchem

NWChem: Open Source High-Performance Computational Chemistry

chrissly31415/poly-rs

chrissly31415/smuRF

tree based machine learning code

chrissly31415/tool

Optimizer for simple interatomic pair potential, i.e. for structure optimization of oxides

chrissly31415/torsional_diffusion