cmwoodley

Pinned Repositories

BART_LMWG_model
Language:Jupyter Notebook0 1 00
diffdream
Language:Jupyter Notebook00
GE2024_demographics
Language:Jupyter Notebook00
GP_qsar
Language:Python00
jazzy
Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
Language:Python00
kallisto
Efficiently calculate 3D-features for quantitative structure-activity relationship approaches.
Language:Python0 0 00
MD_PLIP
Language:Jupyter Notebook0 1 10
plip_to_2D
Language:Jupyter Notebook0 1 00
Python_UoL_Medchem
Python_UoL_Medchem
Language:Jupyter Notebook10
REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Language:Python20

cmwoodley's Repositories

cmwoodley/REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Language:Python20
cmwoodley/BART_LMWG_model
Language:Jupyter Notebook0 1 00
cmwoodley/diffdream
Language:Jupyter Notebook00
cmwoodley/GE2024_demographics
Language:Jupyter Notebook00
cmwoodley/GP_qsar
Language:Python00
cmwoodley/jazzy
Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
Language:Python00
cmwoodley/kallisto
Efficiently calculate 3D-features for quantitative structure-activity relationship approaches.
Language:Python0 0 00
cmwoodley/MD_PLIP
Language:Jupyter Notebook0 1 10
cmwoodley/plip_to_2D
Language:Jupyter Notebook0 1 00
cmwoodley/SVMP_CG
Snake Venom Metalloproteinase Coarse Grained MD workflow
Language:Python0 1 00