Lucien Walewski

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New activity in InstaDeepAI/mlipaudit-leaderboard 13 days ago

Update Dockerfile

#6 opened 13 days ago by

lcolonn

Add NVE Conservation UI fix

#5 opened 13 days ago by

lcolonn

New activity in InstaDeepAI/mlipaudit-results 13 days ago

Add v2 SPICE2-OMOL models

#11 opened 13 days ago by

lcolonn

Add MACE-SPICE2 results

#10 opened 13 days ago by

lcolonn

Add MACE-Polar results

#9 opened 14 days ago by

lcolonn

Add UMA-S results

#8 opened 14 days ago by

lcolonn

New activity in InstaDeepAI/mlipaudit-leaderboard 22 days ago

Update launch script

#4 opened 22 days ago by

lcolonn

Update mlipaudit to 0.1.6

#3 opened 22 days ago by

lcolonn

Update mlipaudit -> 0.1.6

#2 opened 22 days ago by

lcolonn

New activity in InstaDeepAI/mlipaudit-results 22 days ago

Update results with mlipaudit v0.1.6

#7 opened about 1 month ago by

lcolonn

New activity in InstaDeepAI/MLIPAudit-data about 2 months ago

Add inference_speed.zip (repack/rename of scaling dataset)

#28 opened about 2 months ago by

lcolonn

Remove orphaned sampling.zip (data merged into folding_stability.zip)

#27 opened about 2 months ago by

lcolonn

Update folding_stability.zip: villin + shared sampling data (flat layout)

#26 opened about 2 months ago by

lcolonn

feat: add reference unsolvated villin

#25 opened about 2 months ago by

lcolonn

fix: villin pdb file name

#24 opened about 2 months ago by

lcolonn

New activity in InstaDeepAI/MLIPAudit-data 3 months ago

Use equilibriated CCl4

#23 opened 3 months ago by

lcolonn

Update molecular liquids

#22 opened 3 months ago by

lcolonn

Upload nve_energy_conservation.zip

#20 opened 3 months ago by

mbortone

Upload folding_stability.zip

#19 opened 3 months ago by

leonwehrhan

New activity in InstaDeepAI/MLIPAudit-data 4 months ago

Upload folmsbee_dataset.json

#16 opened 4 months ago by

leonwehrhan