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**Is your feature request related to a problem? Please describe.**
There are two vehicle types used, see `VehicleConfig` in `smarts/core/vehicle.py` and `VehicleType` in `envision/types.py`. They hav…
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Atom typing with SMARTS is strongly dependent on bonding. Periodic structures will sometimes be "missing" bonds because the bond is to an atom in a different cell. HOW TO FIX?
Hacky workaround: mak…
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OpenMM has the functional forms here:
http://docs.openmm.org/latest/userguide/theory.html#standard-forces
We should also include the functional forms somewhere in our documentation since the Foyer X…
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When a corefile is dropped as a result of a test, MTT should snarf the backtrace from the corefile and submit it as part of the results.
This will require a little more smarts from the client and a n…
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**Description**
Please describe what you are trying to do, what you have done so far, and what you could use help with.
I am attempting to use bespokefit to parametrize the torsions for a molecu…
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No records found for the following queries:
1. CC coupling `[C:1].[C:2]>>[C:1][C:2]`
2. A reactant in [this reaction](https://open-reaction-database.org/id/ord-003ab9f4047746d79aa35d2d0236f0f7): `…
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**Describe the bug**
The new RDKit release throws a KekulizeException at cell 21 of T006. It is about the Smarts pattern `"[#6](:,-[#6]-,:[#7]-,:[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):,-[#6]:,-[#7]:,-[#6]…
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**For each chemical group:** We should have already formulated the logic of the query to define the group -- i.e. simply "has substructure X" or maybe there are multiple logical conditions "... and no…
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We've received a request from @zbzhu99 and his associated team for SMARTS to support the simultaneous hijacking of a great many (over 1000) vehicles from a traffic history dataset (NGSIM) for control …
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Let's say your prefix is in `/usr/` or somewhere else on the system. Currently, you need to run `sudo pybombs`, but then everything is run elevated.
If we add some smarts, we can run only the parts t…