Pinned Repositories
cyclpept-ML-models
cyclpept-tokenizer
Extracting list of aminoacids from SMILES
Cyclpept_generator
Generation of cyclic peptide structures according to available amino acids
CyclPept_VDB
What if we use MorganFP as embeddings?
Huckel_project
Hückel model of graphene π system. Generates energy diagram, structure file, and molecular orbital coefficients. Includes Jmol visualization.
mapchiral
Chiral version of the MinHashed Atom-Pair Fingerprint
Overall_statistics_plotting
rambo-I
somethingthatwentwrong
xmas_party_simulator
Script that helps to set up a bar for a party :)
AnnaKelmanson's Repositories
AnnaKelmanson/Huckel_project
Hückel model of graphene π system. Generates energy diagram, structure file, and molecular orbital coefficients. Includes Jmol visualization.
AnnaKelmanson/Overall_statistics_plotting
AnnaKelmanson/cyclpept-ML-models
AnnaKelmanson/cyclpept-tokenizer
Extracting list of aminoacids from SMILES
AnnaKelmanson/Cyclpept_generator
Generation of cyclic peptide structures according to available amino acids
AnnaKelmanson/CyclPept_VDB
What if we use MorganFP as embeddings?
AnnaKelmanson/mapchiral
Chiral version of the MinHashed Atom-Pair Fingerprint
AnnaKelmanson/rambo-I
AnnaKelmanson/somethingthatwentwrong
AnnaKelmanson/TCCM_HWs
Homeworks from TCCM intensive courses
AnnaKelmanson/TCCM_M2_2023_homeworks