Popular repositories Loading

1. MLP-Neural-Network-From-Scratch MLP-Neural-Network-From-Scratch Public

   Tutorial detailing how to build a multilayer perceptron from scratch

   Jupyter Notebook 66 16

2. graphlets graphlets Public

   Package for performing graphlet decomposition

   Python 9

3. ActiveLearningCG ActiveLearningCG Public

   Some codes for "Discovery of Self-Assembling pi-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation"

   Jupyter Notebook 6 2

4. GAN_DDPM_conditional_molecular_structure_generation GAN_DDPM_conditional_molecular_structure_generation Public

   A Comparison of Generative Modelling Approaches for Conditional Molecular Structure Generation

   Jupyter Notebook 5

5. geometry_analysis geometry_analysis Public

   A sample package for the MolSSI software summer school

   Python 1

6. backmap backmap Public

   Painless coarse-grained to AA Backmapping

   Python 1 1