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Results for “molecular-modeling”

4 skills
k-dense-ai
Rowan
Run cloud-native molecular modeling and drug-design workflows including pKa prediction, docking, molecular dynamics, and protein-ligand cofolding via a Python API.
30.2k
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neuralblitz
Biophysics
Applies physical principles to model biological systems, including protein folding, membrane transport, molecular forces, and neural signaling.
1
k-dense-ai
Molecular Dynamics
Run and analyze molecular dynamics simulations with OpenMM and MDAnalysis. Set up protein/small molecule systems, define force fields, run energy minimization and production MD, analyze trajectories (RMSD, RMSF, contact maps, free energy surfaces).
30.2k · bundle
k-dense-ai
Torchdrug
Build and train graph neural networks for drug discovery, protein modeling, and molecular science using PyTorch-native tools.
30.2k · bundle