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brandontrabucco / design-bench

Benchmarks for Model-Based Optimization
MIT License
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Bugs in the conda environment #25

Open GloomyM opened 3 months ago

GloomyM commented 3 months ago

I have setup the environment based on these commands: conda create -n mbo -c conda-forge rdkit pip install design-bench==2.0.20

However, when I use the api I encounter a strange problem. The import design_bench got an error: ValueError: Can't find a vocabulary file at path '/root/miniconda3/envs/mbo/lib/python3.10/site-packages/design_bench_data/smiles_vocab.txt'. To load the vocabulary from a Google pretrained model use tokenizer = BertTokenizer.from_pretrained(PRETRAINED_MODEL_NAME)

christopher-beckham commented 3 months ago

Hi,

This is an issue which has been resolved in a new branch (albeit pending approval), switch to branch chris/fixes-v2 and see if that helps. (For a bit more context, see https://github.com/brandontrabucco/design-bench/pull/21)