13:03:43 From Jean Baptiste's Assistant To Matthew Evans(Privately): Jean Baptiste added Jean Baptiste's Assistant to the meeting. Read provides AI generated meeting summaries to make meetings more effective and efficient. View our Privacy Policy at https://www.read.ai/pp Chat Commands: Type "timer off", "talk time off", "Read score off", or "display off" to disable features or type "opt out" and Read will leave the meeting. 13:05:32 From Gian-Marco Rignanese To Everyone: Following on Aude's comment, don't hesitate to let us know when the sound is not sufficient. Thanks in advance 13:06:09 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: Reacted to "Following on Aude's ..." with 👍 13:13:47 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: We cannot here anymore 13:13:55 From Matthew Evans To Everyone: we just muted as it is loud 13:14:00 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: hear 13:14:02 From Matthew Evans To Everyone: give us 1 minute for people to leave 13:14:05 From Mukesh Singh To Everyone: yes, not audible for me as well 13:15:06 From JENA To Everyone: Yes, hear 13:15:11 From Mukesh Singh To Everyone: audible 13:17:06 From Greg Juhasz To Everyone: yes, audible 13:18:05 From Greg Juhasz To Everyone: can you insert the links in the chat? 13:26:42 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: How can we get this environment install in our machine? 13:30:31 From Matthew Evans To Everyone: https://optimade.science 13:35:05 From Matthew Evans To Everyone: https://www.optimade.org/providers-dashboard/ 13:39:05 From Matthew Evans To Everyone: https://www.optimade.org/optimade-python-tools/latest/ 13:39:05 From José Manuel Nápoles Duarte To Everyone: Does the client work well in Colab? 13:39:39 From José Manuel Nápoles Duarte To Everyone: thanks 13:40:50 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: I already installed optimade and clone the reposotory. what next? 13:47:21 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: I tried to install xerus but still got error 13:54:05 From José Manuel Nápoles Duarte To Everyone: what is the GitHub repo of opdx? 13:54:21 From Matthew Evans To Everyone: https://github.com/ml-evs/odbx.science 13:54:26 From José Manuel Nápoles Duarte To Everyone: thanks 13:54:51 From José Manuel Nápoles Duarte To Everyone: it works, thanks 13:59:51 From Matthew Evans To Everyone: https://github.com/Materials-Consortia/optimade-tutorial-exercises 14:01:05 From Paul Spiering (SCM) To Everyone: ```python
!pip install optimade
!pip install httpx
from optimade.client import OptimadeClient
client = OptimadeClient()
results = client.get('elements HAS "Ag"')
```
Gives an error on colab 14:03:48 From Paul Spiering (SCM) To Everyone: Error is too long 14:04:25 From Paul Spiering (SCM) To Everyone: I think it did say 14:00 as the start time in the program on the website (as opposed to 13:00 in the email) 14:05:00 From José Manuel Nápoles Duarte To Everyone: I think it works for me: https://colab.research.google.com/drive/1eyY9rwarA_NcgiI_dQMv2Yx4wsUvohr2?usp=sharing 14:05:33 From Paul Spiering (SCM) To Everyone: I don't have permission to access it 14:05:55 From José Manuel Nápoles Duarte To Everyone: https://colab.research.google.com/drive/1eyY9rwarA_NcgiI_dQMv2Yx4wsUvohr2?usp=sharing 14:06:03 From José Manuel Nápoles Duarte To Everyone: try again please 14:06:04 From Paul Spiering (SCM) To Everyone: https://www.optimade.org/optimade-python-tools/latest/getting_started/client/ 14:06:38 From Matthew Evans To Everyone: https://github.com/Materials-Consortia/optimade-tutorial-exercises 14:06:45 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: I think you can show us how to install this environment so we can try doing the exercices 14:08:25 From Paul Spiering (SCM) To Everyone: @jose that gives an error does it not? 14:09:20 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: yes, please 14:09:42 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: I started installed it and cloned 14:09:54 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: yes I have conda 14:10:41 From Matthew Evans To Everyone: https://docs.conda.io/en/latest/ 14:11:04 From Paul Spiering (SCM) To Everyone: I found the issue in my colab code. I had to start the client like: client = OptimadeClient(exclude_providers=["mcloud"], use_async=False) (I guess some particular features don't work on colab) 14:12:23 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: Can you send the commnands on the chat? 14:12:50 From Matthew Evans To Everyone: conda create -n optimade_101 python=3.10 14:13:10 From Matthew Evans To Everyone: conda activate optimade_101 14:13:29 From Matthew Evans To Everyone: pip install optimade\[http_client\] 14:13:40 From Matthew Evans To Everyone: optimade-get --filter 'chemical_formula_reduced="O2Si"' 14:13:54 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: yes thanks 14:15:27 From Paul Spiering (SCM) To Everyone: I do yes 14:20:12 From Indranil saha To Everyone: I see this session is getting recorded, where to find the recordings? Since, I joined late, I asked. Thanks. 14:20:41 From Indranil saha To Everyone: Thanks. 14:21:01 From Paul Spiering (SCM) To Everyone: It's not always easy to hear/understand the on site audience for me. 14:21:38 From Paul Spiering (SCM) To Everyone: Only the chitchat 14:23:39 From Mukesh Singh To Everyone: aflow.org/API/optimade/v1/structures ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 0 0:00:01
⠸ alexandria.odbx.science/v1/structures ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 0 0:00:01
⠸ www.crystallography.net/cod/optimade/v1/structures ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 0 0:00:01
⠸ cmr-optimade.fysik.dtu.dk/v1/structures ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 0 0:00:01
⠸ aiida.materialscloud.org/mc3d/optimade/v1/structures ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 0 0:00:01
⠸ aiida.materialscloud.org/mc2d/optimade/v1/structures ━━━━━━━━━━━━━━━━ 14:23:55 From Rickard Armiento To Everyone: Here is the zoom link for the discussion about trajectories in the OPTIMADE protocol that is ongoing paralell to the tutorial: https://epfl.zoom.us/j/66166323534?pwd=WTFoU0pVU0V1blFxN0JweVlqZHRBUT09 14:24:08 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: Do we need to start exercice 8 or 1? 14:24:24 From Mukesh Singh To Everyone: what does that chart represent while runing get_client? 14:25:00 From bamgbose To Everyone: please give me the link to open optimade on colab 14:25:23 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: People online need to introduce themselves or it's only people in the room? 14:25:50 From Gian-Marco Rignanese To Everyone: It would be nice to hear what everyone is interested to do... 14:27:00 From Matthew Evans To Everyone: https://github.com/Materials-Consortia/optimade-tutorial-exercises 14:27:06 From Matthew Evans To Everyone: exercise 8 link is the one i have open atm 14:27:14 From Mukesh Singh To Everyone: Hello, I, Mukesh Singh, am Ph.D. student from IIT Bombay, India. I work in computational condensed matter physcis and usually need to search a lot of structure file. So I think, the optimade would be helpfully for time being. 14:29:08 From Indranil saha To Everyone: May I? 14:30:32 From bamgbose To Everyone: Thanks 14:34:00 From Elliott Kasoar - STFC UKRI To Everyone: Hi, I'm Elliott. I'm a research software engineer at STFC in the UK, developing workflows for machine learnt interatomic potentials, which will include data discovery and curation 14:36:17 From Jacob Pietryga To Everyone: I could go? 14:39:34 From Matthew Evans To Everyone: https://github.com/Materials-Consortia/OPTIMADE/ 14:44:45 From Matthew Evans To Everyone: https://optimadeclient.materialscloud.io/ 14:44:50 From Matthew Evans To Everyone: https://optimade.science 14:53:37 From Mukesh Singh To Everyone: yeah, thanks 14:54:25 From Mukesh Singh To Everyone: ONe question, can you please share the links of all the handson session if possible? 14:54:48 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: I tried this: optimade-get elements HAS ANY "C", "Si", "Ge", "Sn", "Pb" but I cannot see the beginning of the result. What can I do to see page by page? 14:54:58 From Matthew Evans To Everyone: https://github.com/Materials-Consortia/optimade-tutorial-exercises 14:56:02 From Matthew Evans To Everyone: https://www.optimade.org/optimade-python-tools/latest/getting_started/client/ 14:56:38 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: thanks so much 14:56:58 From Matthew Evans To Everyone: --max-results-per-provider 1 15:00:32 From José Manuel Nápoles Duarte To Everyone: Is there a forum, like in discourse? https://www.discourse.org/ 15:00:36 From Matthew Evans To Everyone: https://join.slack.com/t/optimade/shared_invite/zt-1m52h9p41-hKS4w4SQ1pFg~VnNLboLFg 15:01:21 From Matthew Evans To Everyone: https://matsci.org/c/optimade/29 15:01:27 From José Manuel Nápoles Duarte To Everyone: thanks! 15:12:04 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: I tried this but got error: optimade-get elements HAS ANY "C", "Si", "Ge", "Sn" AND NOT elements HAS "Pb" AND elements LENGTH 3 15:14:13 From Matthew Evans To Everyone: optimade-get --filter 'elements HAS ANY "C", "Si", "Ge", "Sn" AND NOT elements HAS "Pb" AND elements LENGTH 3' 15:15:56 From Paul Spiering (SCM) To Everyone: Can we also query for bond distances or angles? 15:15:58 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: I got this: Filter element could not be parsed as an optimade filter 15:16:25 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: ok great it the 3 example on exercice 1 15:16:46 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: The 2 second I didn't need to enter filter 15:19:44 From José Manuel Nápoles Duarte To Everyone: https://matsci.org/t/optimade-tutorial-5th-june-2023/49003 15:20:24 From José Manuel Nápoles Duarte To Everyone: Is a new topic in the forum, in case anyone is in discourse 15:22:23 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: Thanks it works. it was a typos on my side 15:28:46 From Jean Baptiste Fankam Fankam (he/ him) To Everyone: Where to find these projects? 15:32:16 From Dhani Nafday To Everyone: What filters is used to get result based on material property for e.g how do you filter based on band gao 15:32:36 From Dhani Nafday To Everyone: or magnetic 15:39:59 From Jacob Pietryga To Everyone: I don’t believe we do 15:41:51 From Maximilian Springer To Everyone: Can you say again where we could find the property keys such as chemical_formula_anonymous etc.? 15:43:52 From Matthew Evans To Everyone: https://github.com/Materials-Consortia/OPTIMADE/blob/develop/optimade.rst#structures-entries 15:44:04 From José Manuel Nápoles Duarte To Everyone: Sorry, I have to leave now, thanks for the tutorial, see you later! 15:44:07 From Maximilian Springer To Everyone: Thanks a lot! 15:44:22 From Dhani Nafday To Everyone: Thanks a lot