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Relaxes numpy requirements from <2 to free-form #210

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2 changes: 1 addition & 1 deletion environment.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,7 @@ dependencies:
- python=3.9
- pip
- pip:
- numpy<2
- numpy
- rdkit
- biopython
- selfies
2 changes: 1 addition & 1 deletion examples/the_basics/a_simple_objective_function_registration/environment.yml
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Expand Up @@ -5,5 +5,5 @@ dependencies:
- python=3.9
- pip
- pip:
- numpy<2
- numpy
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
2 changes: 1 addition & 1 deletion pyproject.toml
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Expand Up @@ -22,7 +22,7 @@ classifiers = [
]
keywords = ["optimization", "molecular", "discrete", "proteins"]
dependencies = [
"numpy<2",
"numpy",
"rdkit",
"selfies"
]
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2 changes: 1 addition & 1 deletion requirements.txt
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@@ -1,3 +1,3 @@
numpy<2
numpy
rdkit
selfies
2 changes: 1 addition & 1 deletion src/poli/core/chemistry/environment.yml
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Expand Up @@ -11,7 +11,7 @@ dependencies:
- openbabel
- openmm
- pip:
- numpy<2
- numpy
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
- biopython
- python-levenshtein
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2 changes: 1 addition & 1 deletion src/poli/objective_repository/aloha/environment.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,7 @@ dependencies:
- python=3.9
- pip
- pip:
- numpy<2
- numpy
- selfies
- rdkit
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
2 changes: 1 addition & 1 deletion src/poli/objective_repository/foldx_rfp_lambo/environment.yml
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Expand Up @@ -11,7 +11,7 @@ dependencies:
- openbabel
- openmm
- pip:
- numpy<2
- numpy
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
- biopython==1.81
- botorch==0.8.5
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2 changes: 1 addition & 1 deletion src/poli/objective_repository/foldx_sasa/environment.yml
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Expand Up @@ -8,6 +8,6 @@ dependencies:
- pip:
- biopython
- python-levenshtein
- numpy<2
- numpy
- pdb-tools
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
2 changes: 1 addition & 1 deletion src/poli/objective_repository/foldx_stability/environment.yml
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Expand Up @@ -8,6 +8,6 @@ dependencies:
- pip:
- biopython
- python-levenshtein
- numpy<2
- numpy
- pdb-tools
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
2 changes: 1 addition & 1 deletion src/poli/objective_repository/foldx_stability_and_sasa/environment.yml
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Expand Up @@ -8,6 +8,6 @@ dependencies:
- pip:
- biopython
- python-levenshtein
- numpy<2
- numpy
- pdb-tools
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
2 changes: 1 addition & 1 deletion src/poli/objective_repository/gfp_cbas/environment.yml
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Expand Up @@ -7,7 +7,7 @@ dependencies:
- pip:
- biopython
- python-levenshtein
- numpy<2
- numpy
- pandas
- scipy
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
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2 changes: 1 addition & 1 deletion src/poli/objective_repository/gfp_select/environment.yml
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Expand Up @@ -7,6 +7,6 @@ dependencies:
- pip:
- biopython
- python-levenshtein
- numpy<2
- numpy
- pandas
- "git+https://github.com/MachineLearningLifeScience/poli.git@master"
2 changes: 1 addition & 1 deletion src/poli/objective_repository/penalized_logp_lambo/environment.yml
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Expand Up @@ -11,7 +11,7 @@ dependencies:
- openbabel
- openmm
- pip:
- numpy<2
- numpy
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
- biopython==1.81
- botorch==0.8.5
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2 changes: 1 addition & 1 deletion src/poli/objective_repository/rasp/environment.yml
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Expand Up @@ -15,7 +15,7 @@ dependencies:
- make
- pip
- pip:
- numpy<2
- numpy
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
- biopython==1.72
- torch
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2 changes: 1 addition & 1 deletion src/poli/objective_repository/rdkit_logp/environment.yml
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Expand Up @@ -5,7 +5,7 @@ dependencies:
- python=3.9
- pip
- pip:
- numpy<2
- numpy
- rdkit
- selfies
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
2 changes: 1 addition & 1 deletion src/poli/objective_repository/rdkit_qed/environment.yml
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Expand Up @@ -5,7 +5,7 @@ dependencies:
- python=3.9
- pip
- pip:
- numpy<2
- numpy
- rdkit
- selfies
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
2 changes: 1 addition & 1 deletion src/poli/objective_repository/rfp_foldx_stability_and_sasa/environment.yml
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Expand Up @@ -8,6 +8,6 @@ dependencies:
- pip:
- biopython
- python-levenshtein
- numpy<2
- numpy
- pdb-tools
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
2 changes: 1 addition & 1 deletion src/poli/objective_repository/sa_tdc/environment.yml
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Expand Up @@ -11,7 +11,7 @@ dependencies:
- openbabel
- openmm
- pip:
- numpy<2
- numpy
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
- biopython==1.81
- python-levenshtein==0.12.2
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2 changes: 1 addition & 1 deletion src/poli/objective_repository/super_mario_bros/environment.yml
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Expand Up @@ -7,5 +7,5 @@ dependencies:
- conda-forge::openjdk
- pip
- pip:
- numpy<2
- numpy
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
2 changes: 1 addition & 1 deletion src/poli/objective_repository/toy_continuous_problem/environment.yml
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Expand Up @@ -5,5 +5,5 @@ dependencies:
- python=3.9
- pip
- pip:
- numpy<2
- numpy
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
2 changes: 1 addition & 1 deletion src/poli/objective_repository/white_noise/environment.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,7 @@ dependencies:
- python=3.9
- pip
- pip:
- numpy<2
- numpy
- selfies
- rdkit
- "git+https://github.com/MachineLearningLifeScience/poli.git@dev"
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