Pinned Repositories
CB8-ternary
diceify
making images with dices
docking_data_mining
Some scripts to dock and extract docking information from Vina logs
ds-challenge
find-ligand-for-CB7
MCTS implementation branched off ChemTS to find ligands for CB7's portal
fingerprints
code to generate fingerprints using the rdkit
H-S
Processing files for entropy enthalpy compensation
heptylamine
HydrocarbonsBinding
Binding of hydrocarbons with CB[7]
XYLENE_probing
a few pieces of code to manipulate molecules and create output files, initially for vasp
sozenoid's Repositories
sozenoid/XYLENE_probing
a few pieces of code to manipulate molecules and create output files, initially for vasp
sozenoid/CB8-ternary
sozenoid/diceify
making images with dices
sozenoid/docking_data_mining
Some scripts to dock and extract docking information from Vina logs
sozenoid/ds-challenge
sozenoid/find-ligand-for-CB7
MCTS implementation branched off ChemTS to find ligands for CB7's portal
sozenoid/fingerprints
code to generate fingerprints using the rdkit
sozenoid/H-S
Processing files for entropy enthalpy compensation
sozenoid/heptylamine
sozenoid/HydrocarbonsBinding
Binding of hydrocarbons with CB[7]
sozenoid/latent_space
Trying to explore the latent chemical space.
sozenoid/scratches
sozenoid/thermalcollection
sozenoid/VIB-rdkit
Attempt to compute vibrational properties directly from the RDKIT
sozenoid/yolov5
YOLOv5 🚀 in PyTorch > ONNX > CoreML > TFLite