SCMusson
SCMusson
Looking at the python script it looks like the modeller.addHydrogens method simply places new hydrogens ~0.1 nm away from the parent atom and then does a energy minimization. Is it...
Assertion error triggered on deepcopy of model. ``` ~/miniconda3/envs/py39/lib/python3.9/site-packages/mmtbx/model/model.py in __init__(self, model_input, pdb_hierarchy, crystal_symmetry, restraint_objects, monomer_parameters, stop_for_unknowns, log, expand_with_mtrix, skip_ss_annotations) 202 if(pdb_hierarchy is not None): 203 assert model_input is None...
I have come across an error that is really perplexing me. I have tried to create a custom integrator. It compiles, and tests are all successful. But when I come...
Work in progreses don't merge just yet. GON/Siren architecture for molearn.
A functioning sinkhorn_trainer class Gradient checkpointing module in molearn/utils.py Two example scripts that hopefully demonstrate both of the above techniques
Please don't merge!!!!, this is a bunch of new features that could be added to analyser classes. I'm putting them all here in one drop because I don't have time...
Targeting issue #367 The following would now compile ``` source_code = """ from dataclasses import dataclass from typing import Dict, List, Union from pycardano import Datum as Anything, PlutusData @dataclass()...
Targetting issue #395. Dunder methods for all Fractions functions. The Fraction functions are still there, I don't know if you want to temporarily keep them for backwards compatibility or to...
**Describe the bug** Getting this error trying to build a registration and delegation stake transaction using a staking script: ``` pycardano.exception.TransactionBuilderException: Cannot find execution unit for redeemer: { 'data': 0,...
**Describe the bug** TransactionBuilder.build_and_sign does not seem to correctly build the witness set if the Certificates are constructed using ScriptHash rather than StakeKeyHash. I am attempting to recreate the plutus...