Calvin

Hey @ChrisBNEU, with this branch, are you experiencing an issue with installing PyCall in Julia (or add/installing new packages in Julia)

A fix for that issue is we need to make it use the `libcurl` packaged with Julia. For my env, I had to do this ``` export LD_LIBRARY_PATH="/home/calvin/mambaforge/envs/rmg_env/share/julia/site/julia-1.6.7/lib/julia:$LD_LIBRARY_PATH" ```

> A fix for that issue is we need to make it use the `libcurl` packaged with Julia. > > For my env, I had to do this > >...

Apologies to bump n old ticket, but I have also began to use the Weave Model and am experiencing similar warnings ```python WARNING:tensorflow:Gradients do not exist for variables ['weave_layer_1/kernel:0', 'weave_layer_1/Variable:0',...

My current fix is adjusting the environment.yml file: ```yaml name: tst_env channels: - defaults - cantera - pytorch - anaconda - conda-forge dependencies: - python - rmg::rmg - conda-forge::ase -...

We can also do something like this: ```yml name: tst_env channels: - defaults - cantera - pytorch - anaconda - conda-forge dependencies: - python - rmg::rmg - conda-forge::ase - conda-forge::cclib...

Although, if we did raise an issue with RDKit and assuming they fixed the issue, this would not affect us correct? As we do not use the latest version of...

Hi @wangdu817, we suggest you either change the solver for Conda to libmamba, as described [here](https://www.anaconda.com/blog/a-faster-conda-for-a-growing-community) or you can utilize [mamabaforge](https://github.com/mamba-org/mamba)

Error is occurring for Label: `'r_162_[CH2]c1ccccc1'` self.job_dict[spc.label]: `{'conformers': {0: }}` In reality, there were 4 conformers completed. 

Here is part of another restart. ```yaml r_177_[CH]=CC=C: - args: block: {} keyword: general: scf=xqc trsh: {} conformer: 1 constraints: [] cpu_cores: 10 ess_settings: *id005 ess_trsh_methods: - restart_due_to_file_not_found execution_type: queue...