Commits · master · Rodrigo Carvalho / anima

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May 17, 2025
- Edit README.md · 79d8e011
  Rodrigo Carvalho authored May 17, 2025
  
  79d8e011
Apr 16, 2025
- chore: set of env configs · b02c2376
  Rodrigo Carvalho authored Apr 16, 2025
  
  b02c2376
- fix: forgot some data dep · cf8a57ee
  Rodrigo Carvalho authored Apr 16, 2025
  
  cf8a57ee
- chore: some restructuring · 081ade04
  Rodrigo Carvalho authored Apr 16, 2025
  
  081ade04
Nov 21, 2022
- Update databases/data_paper2/OMEAD_xyz_relaxed_structures_26218-41800.tar.gz,... · 00f906da
  Rodrigo Carvalho authored Nov 21, 2022
  00f906da
- Update databases/OMEAD_26218.csv, databases/OMEAD_41801.csv,... · 7aa1c187
  Rodrigo Carvalho authored Nov 21, 2022
  7aa1c187
- Update... · 8dba7a67
  Rodrigo Carvalho authored Nov 21, 2022
  8dba7a67
- Add new file · 9da5fead
  Rodrigo Carvalho authored Nov 21, 2022
  
  9da5fead
Nov 09, 2021
- Update databases/Paper_ESM_data/AI_selected_electrodes_DFT_filter.zip,... · 41f9a377
  Rodrigo Carvalho authored Nov 09, 2021
  41f9a377
- Add new directory · 9f25668c
  Rodrigo Carvalho authored Nov 09, 2021
  
  9f25668c
- Add new directory · e24829bf
  Rodrigo Carvalho authored Nov 09, 2021
  
  e24829bf
Oct 07, 2021
- Delete OMEAD.zip · 275643d2
  Rodrigo Carvalho authored Oct 07, 2021
  
  275643d2
- Delete AI_selected_molecules.zip · 19a4ce46
  Rodrigo Carvalho authored Oct 07, 2021
  
  19a4ce46
- Delete AI_OMEAD-20Mpredictions.zip · df9fae5a
  Rodrigo Carvalho authored Oct 07, 2021
  
  df9fae5a
- small updates · 5abfa816
  Rodrigo Carvalho authored Oct 07, 2021
  
  5abfa816
Jun 10, 2021
- Updates · 9f4e5956
  Rodrigo Carvalho authored Jun 10, 2021
  
  9f4e5956
Apr 26, 2021
- added databases · 06c11030
  Rodrigo Carvalho authored Apr 26, 2021
  
  06c11030
Apr 23, 2021
- new updates · 43c9ebd1
  Rodrigo Carvalho authored Apr 23, 2021
  
  43c9ebd1
Apr 21, 2021
- update · 393a649e
  Rodrigo Carvalho authored Apr 21, 2021
  
  393a649e
- update · 126cab64
  Rodrigo Carvalho authored Apr 21, 2021
  
  126cab64
- Add LICENSE · 7acf6167
  Rodrigo Carvalho authored Apr 21, 2021
  
  7acf6167
- update · 21a29448
  Rodrigo Carvalho authored Apr 21, 2021
  
  21a29448
- Moved the NN class to a new neuralnetwork.py module. AIkernel also return redox · 1e4c409a
  Rodrigo Carvalho authored Apr 21, 2021
  
  1e4c409a
- Deleted examples/.ipynb_checkpoints/SMILES-checkpoint.ipynb,... · 847a622b
  Rodrigo Carvalho authored Apr 21, 2021
  847a622b
- Delete .DS_Store · b4f53578
  Rodrigo Carvalho authored Apr 21, 2021
  
  b4f53578
- Added AI-Kernel in models module with example · 05b70a7a
  Rodrigo Carvalho authored Apr 21, 2021
  
  05b70a7a
Apr 19, 2021
- Merge branch 'master' of https://gitlab.com/rpcarvalho/anima · eb71571a
  Rodrigo Carvalho authored Apr 19, 2021
  
  eb71571a
- update · ac2129bb
  Rodrigo Carvalho authored Apr 19, 2021
  
  ac2129bb
- Merge branch 'rpcarvalho-master-patch-70119' into 'master' · c90957a2
  Rodrigo Carvalho authored Apr 19, 2021
  c90957a2
- Deleted anima/__pycache__/__init__.cpython-37.pyc,... · fa0d2c04
  Rodrigo Carvalho authored Apr 19, 2021
  fa0d2c04
- Delete .DS_Store · 1ca4de27
  Rodrigo Carvalho authored Apr 19, 2021
  
  1ca4de27
- Delete .DS_Store · e39d6f9a
  Rodrigo Carvalho authored Apr 19, 2021
  
  e39d6f9a
- update · 6fc724da
  Rodrigo Carvalho authored Apr 19, 2021
  
  6fc724da
- update and new examples · 6126385a
  Rodrigo Carvalho authored Apr 19, 2021
  
  6126385a
Apr 13, 2021
- Merge branch 'master' of https://gitlab.com/rpcarvalho/anima · 1302da55
  Rodrigo Carvalho authored Apr 13, 2021
  
  1302da55
- update · 365f84d9
  Rodrigo Carvalho authored Apr 13, 2021
  
  365f84d9
Nov 24, 2020
- Update README.md · bab79ad7
  Rodrigo Carvalho authored Nov 24, 2020
  
  bab79ad7
- updating documentation · 7c7d554b
  Rodrigo Carvalho authored Nov 24, 2020
  
  7c7d554b
Nov 16, 2020
- cleaning and updating · 2cc4f3af
  Rodrigo Carvalho authored Nov 16, 2020
  
  2cc4f3af
Sep 14, 2020
- up · f9e06dde
  Rodrigo Carvalho authored Sep 14, 2020
  
  f9e06dde