.env.example
AUTHORS.md
CHANGELOG.md
CITATION.cff
CODE_OF_CONDUCT.md
CONTRIBUTING.md
LICENSE
MANIFEST.in
README.md
SECURITY.md
VERSION
pyproject.toml
requirements-dev.txt
requirements.txt
setup.cfg
bin/run_generation.py
config/biological_scaffolds.yaml
config/ceramics.yaml
config/default.yaml
config/energy_materials.yaml
config/pharmaceutical.yaml
config/photocatalysts.yaml
config/topological_quantum.yaml
data/reference/descriptor_weights.json
data/reference/domain_thresholds.csv
data/reference/reference_densities.h5
data/validation/held_out_mgus.h5
examples/advanced/example_energy_materials.py
examples/advanced/example_pharmaceutical.py
examples/advanced/example_topological_quantum.py
examples/basic/example_generation.py
examples/basic/example_xfi.py
genesis_x/__init__.py
genesis_x/version.py
genesis_x/core/__init__.py
genesis_x/core/composite.py
genesis_x/core/parameters.py
genesis_x/core/xfi.py
genesis_x/generator/__init__.py
genesis_x/generator/neural_ode_decoder.py
genesis_x/generator/neural_wavefunction.py
genesis_x/generator/pinn_constraint.py
genesis_x/generator/schnet_generator.py
genesis_x/generator/synthesizability_filter.py
genesis_x/models/__init__.py
genesis_x/models/causal_cnn_3d.py
genesis_x/models/ensemble.py
genesis_x/models/neural_ode_xfi.py
genesis_x/models/xgboost_xfi.py
genesis_x/monitoring/__init__.py
genesis_x/monitoring/alert_engine.py
genesis_x/monitoring/coherence_tracker.py
genesis_x/monitoring/tipping_point_detector.py
genesis_x/synthesis/__init__.py
genesis_x/synthesis/feasibility_scorer.py
genesis_x/synthesis/pathway_ranker.py
genesis_x/synthesis/retrosynthesis.py
genesis_x/utils/__init__.py
genesis_x/utils/config.py
genesis_x/utils/constants.py
genesis_x/utils/logger.py
genesis_x/utils/validators.py
genesis_x/visualization/__init__.py
genesis_x/visualization/chemical_space_mapper.py
genesis_x/visualization/xfi_dashboard.py
scripts/analyze_results.py
scripts/benchmark.py
scripts/deploy.sh
scripts/setup.sh
scripts/train.sh
scripts/train_models.py
scripts/validate_installation.py
scripts/deployment/docker_build.sh
scripts/monitoring/start_monitor.sh
tests/__init__.py
tests/conftest.py
tests/integration/test_generation.py
tests/integration/test_pipeline.py
tests/integration/test_synthesis.py
tests/unit/test_att.py
tests/unit/test_cei_m.py
tests/unit/test_d_psi.py
tests/unit/test_generator.py
tests/unit/test_monitoring.py
tests/unit/test_nci_m.py
tests/unit/test_nwp.py
tests/unit/test_parameters.py
tests/unit/test_qst.py
tests/unit/test_synthesis.py
tests/unit/test_utils.py
tests/unit/test_visualization.py
tests/unit/test_xfi.py