MLEG

Suggestion to add 3 stop criteria for the GA algorithm

4

one is when the fitness reaches a specific value, it stops the loop another is: when there is no progress on the best fitness for K generation, it stops the...

does scikit-opt GA support elitism?

2

Elitism allows the GA population to always keep the top K best individuals and bring them to next generation. This feature is important to avoid losing good solutions over the...

roteinlm)xxxx@quant:~/ProteinLM/pretrain$ sh examples/pretrain_tape.sh using world size: 1, data-parallel-size: 1, tensor-model-parallel size: 1, pipeline-model-parallel size: 1 using torch.float16 for parameters ... WARNING: overriding default arguments for tokenizer_type:BertWordPieceLowerCase with tokenizer_type:BertWordPieceCase ------------------------ arguments...

which format should be sequence json file? do we need to add spaces between amino acids? in: https://github.com/THUDM/ProteinLM/tree/main/pretrain {"text": "GCTVEDRCLIGMGAILLNGCVIGSGSLVAAGALITQ"} {"text": "RTIKVRILHAIGFEGGLMLLTIPMVAYAMDMTLFQAILLDLSMTTCILVYTFIFQWCYDILENR"} https://github.com/THUDM/ProteinLM/tree/main/pretrain/protein_tools {"text": "G C T V E D...

installation tips for Mac M1 chip

1

i need this step to install grpcio on M1 chip mac: export GRPC_PYTHON_BUILD_SYSTEM_OPENSSL=1 export GRPC_PYTHON_BUILD_SYSTEM_ZLIB=1 pip install grpcio

installation issue on Mac with M1 chip

1

**Description of the problem** pip install pyshtools got this error No such file or directory: '/var/folders/nz/j6p8yfhx1mv_0grj5xl4650h0000gp/T/abs_ce18o7jvqb/croots/recipe/python-split_1661469471615/_build_env/bin/llvm-ar' **System information** macbook pro

Can your adapt DA algorithm accept Pytorch network model as base estimator?

1

many materials science ML models are written with Pytorch instead of Tensorflow. If not, what can we do?

Issue of the charge neutrality check function

9

When we apply the charge neutrality check function of smact to the compositions of the materials project database, we find that up to 25% samples does not have charge neutrality...

This function returns a zero matrix def _phi(self, X, sigma=None): if sigma is None: sigma = self._sigma print(sigma , "****** sigma"); print(X.shape) print((X-self._test_vectors).shape) #exit(-1) if self._phi_fitted: #print(np.exp(-np.sum((X-self._test_vectors)**2, axis=-1)/(2*sigma**2))) return np.exp(-np.sum((X-self._test_vectors)**2,...