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### Model
MAIP distillation: antimalarial potential prediction - eos2gth
### Molecules
NC(=O)NO
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### Model
MAIP: antimalarial activity prediction - eos4zfy
### Molecules
COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1
O=C(O)c1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1
Cc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c…
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### Model
MAIP: antimalarial activity prediction - eos4zfy
### Molecules
COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1
O=C(O)c1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1
Cc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c…
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### Model
MAIP distillation: antimalarial potential prediction - eos2gth
### Molecules
COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1
O=C(O)c1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1
Cc1ccc(N2CCN(Cc3nc4ccc…
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while preparing ligands for vs the program failed to convert a file of 300 ligands in sdf form to pdbqt
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**Description**
I was looking to see if @IAlibay's desired workflow in #1059 could be accomplished by creating two separate interchanges and then combining them to get a single interchange with dif…
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### Model Name
MolE molecular embeddings
### Model Description
MolE is a foundation model for chemistry developed by Recursion. It combines geometric deep learning with transformers, to learn a mea…
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### Prerequisites
- [ ] This was not already reported in the past (duplicate check)
- [X] It does reproduce it with code from main branch (latest unreleased version)
- [X] I include a minimal exa…
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### Model
Small World Zinc search - eos1d7r
### Molecules
CCCCCO
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### Model
Small World Zinc search - eos1d7r
### Molecules
CCCCCO