Pinned Loading

1. MolReBond MolReBond Public

   Transfer bond order information from reference SMILES to predicted molecule structure if the prediction model does not take into account bonds

   Jupyter Notebook

2. meyresearch/polaris_challenge meyresearch/polaris_challenge Public

   Jupyter Notebook

3. twistedWorm twistedWorm Public

   Python code for fitting optical tweezers data using the twistable worm-like chain (tWLC) model. Improves parameter estimation by utilizing informed initial guesses from a pre-fit standard worm-like…

   Python 1

4. cvignac/MiDi cvignac/MiDi Public

   MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation

   Python 99 16

5. Quantum_Computer_Simulator Quantum_Computer_Simulator Public

   HTML