https://github.com/abinit/abinit
https://github.com/google-deepmind/alphafold
https://github.com/google-deepmind/materials_discovery
https://github.com/MaterialsDiscovery/PyChemia
https://github.com/materialsproject/pymatgen
https://github.com/RosettaCommons/RFdiffusion
https://github.com/RosettaCommons/rosetta
https://github.com/sparks-baird/mat_discover
https://github.com/Zuricho/ProteinDesignLabs
then
https://ejs.journals.ekb.eg/article_424422_9c0650b1834b02b5750101d17f227930.pdf
https://github.com/AspirinCode/papers-for-molecular-design-using-DL
https://github.com/AtomisticMachineLearning/schnetpack
https://github.com/Graylab/DL4Proteins-notebooks
https://github.com/MaterialsDiscovery/PyChemia
https://github.com/MrNeRF/LichtFeld-Studio
https://github.com/Peldom/papers_for_protein_design_using_DL
https://github.com/RosettaCommons/RFdiffusion
https://github.com/RosettaCommons/rosetta
https://github.com/Zuricho/ProteinDesignLabs
https://github.com/abinit/abinit
https://github.com/aiidateam/aiida-core
https://github.com/bigdft/bigdft-suite
https://github.com/blaiszik/awesome-matchem-datasets
https://github.com/cp2k/libint-cp2k
https://github.com/deepmodeling/deepmd-kit
https://github.com/ferozxkhan/Computational-Materials-Science
https://github.com/google-deepmind/alphafold
https://github.com/google-deepmind/gemma
https://github.com/google-deepmind/materials_discovery
https://github.com/lmmentel/awesome-python-chemistry
https://github.com/lmserra/ase
https://github.com/marda-alliance/awesome_list
https://github.com/materialsproject/pymatgen
https://github.com/merzlab/QUICK
https://github.com/mir-group/nequip
https://github.com/mkkellogg/GaussianSplats3D
https://github.com/ncfrey/resources
https://github.com/nerfstudio-project/gsplat
https://github.com/nwchemgit/nwchem
https://github.com/octopus-code/octopus
https://github.com/sedaoturak/data-resources-for-materials-science
https://github.com/sparks-baird/mat_discover
https://github.com/tilde-lab/awesome-materials-informatics
https://github.com/topics/density-functional-theory
https://github.com/ulissigroup/vasp-interactive
https://github.com/yanliang3612/material-discovery-literature/blob/main/README.md
https://gitlab.com/explore/projects/topics/computational+chemistry
https://gitlab.com/fhi-aims-club/
https://gitlab.com/siesta-project/siesta/
https://grokipedia.com/page/List_of_quantum_chemistry_and_solid-state_physics_software
https://matbench-discovery.materialsproject.org/
https://mattermodeling.stackexchange.com/questions/4538/what-is-a-good-replacement-for-gaussian
https://molmod.ugent.be/deltacodesdft
https://opensourcemolecularmodeling.github.io/
https://wires.onlinelibrary.wiley.com/doi/10.1002/wcms.1610
https://www.facebook.com/groups/1538107966433119/posts/3028446054065962
https://www.facebook.com/groups/920361733495397/posts/1000455082152728
https://www.materials-theory.group/research/resources
https://www.nature.com/articles/s41524-021-00594-6
https://www.rc.virginia.edu/userinfo/hpc/software/chemistry
https://www.reddit.com/r/comp_chem/comments/1mwnbly/i_curated_an_awesome_drug_discovery_repo_tools
https://www.reddit.com/r/comp_chem/comments/8i674r/opensource_projects_in_computational_chemistry
https://www.reddit.com/r/comp_chem/comments/vczs8h/best_opensource_dft_software_for_beginners
https://www.reddit.com/r/comp_chem/comments/yexbzp/choosing_the_right_pwdft_package
https://www.researchgate.net/post/VASP_alternatives_and_teaching
https://www.researchgate.net/post/Which_is_best_software_for_Density_Functional_theory_calculation