TDC Oracle integration

[jannisborn]

Closes #119
Closes #117

• bumping tdc dependency which finally allows to relax the sklearn version

• support for three more complex oracles. For details see here.

  • Two of them (ASKCOS and MoleculeOne) give synthesizability scores similar to RXN retroworkers. They need an api key or a the IP of the API endpoint to run. I created schemata to handle those
  • Third run is for docking. I simply populated the TDC interface that either allows to dock against an existing target (that is fetched automatically from their server) or against a user-provided target. In both cases, however, the user needs to install a lot of software manually before these properties work
  • No unit tests provided in all cases, since installation is either manual or requires authentification

• I had to temporarily pin importlib_metadata since they just released v5 which comes with some errors, see here, original issue here

• Unrelated: I fixed the legacy values of test_fraction in RT Trainer code

• Unrelated: Renamed SIDER property to Sider in order to adhere to our styling

[drugilsberg]

Great job @jannisborn, I restarted the CI to make sure the failed test is due to some stochastic behaviour in one of the TorchDrug tests.

[jannisborn]

My bad, I broke the test of the RT training pipeline when removing the legacy argument. It should work now