lilleswing

3 ms·

1. 1.▲
   by lilleswing 9y ago

   Thanks for the feedback (I love feedback). While that is a good high level goal the devil is in the details of how to make it happen. Here are some doable ideas in the medium term which might help. 1) Tutorial and documentation on how to
2. 2.▲
   by lilleswing 9y ago

   DeepChem developer and MoleculeNet co-author here. We are NOT trying to get vendor lock in for users of DeepChem. If there are complaints about lock in using our tools please file a github issue and we can work on trying to create an open
3. 3.▲
   by lilleswing 9y ago

   Chemception/Chemnet do just that with OK performance. https://arxiv.org/abs/1706.06689 https://arxiv.org/abs/1712.02734
4. 4.▲
   by lilleswing 9y ago

   There is a lot of research on attempting to approximate DFT level energy calculations with simple Neural Networks. https://arxiv.org/abs/1610.08935 https://github.com/deepchem/deepchem/blob&#x
5. 5.▲
   by lilleswing 9y ago

   Really cool stuff here, a lot along the same lines of what we have been trying to do with DeepChem and MoleculeNet. https://deepchem.io/ https://github.com/deepchem/deepchem http://moleculen
6. 6.▲
   March Madness Bracket Made With Neural Networks(karlleswing.com)

   5 points by lilleswing 14y ago|0 comments