Pinned Repositories
asciiMol
Curses based ASCII molecule viewer for linux terminals.
docker-deepmd-kit
Docker image for DeePMD-kit (CPU & GPU)
github-bumpversion-action
A GitHub action that utilizes the bumpversion tool
kuelumbus
Hi, I am Chris
rdkit
The official sources for the RDKit library
rdkit-pypi
⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit
thermal_expansion_of_polymers
bioplastic_design
Bioplastic Design using Multitask Deep Neural Networks
polyBERT
polyBERT: A chemical language model to enable fully machine-driven ultrafast polymer informatics
psmiles
Fun with P🙂s strings - canonicalize, randomize, dimerize, fingerprint
kuelumbus's Repositories
kuelumbus/rdkit-pypi
⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit
kuelumbus/asciiMol
Curses based ASCII molecule viewer for linux terminals.
kuelumbus/docker-deepmd-kit
Docker image for DeePMD-kit (CPU & GPU)
kuelumbus/github-bumpversion-action
A GitHub action that utilizes the bumpversion tool
kuelumbus/kuelumbus
Hi, I am Chris
kuelumbus/rdkit
The official sources for the RDKit library
kuelumbus/thermal_expansion_of_polymers