BarathiGanesh-HB / DeepChem-WorkshopLinks
DeepChem 2017: Deep Learning & NLP for Computational Chemistry, Biology & Nano-materials
☆22Updated 7 years ago
Alternatives and similar repositories for DeepChem-Workshop
Users that are interested in DeepChem-Workshop are comparing it to the libraries listed below
Sorting:
- Conda build recipe for the rdkit☆51Updated 3 years ago
- Using Gomacs from IPython notebook☆19Updated 11 years ago
- Autonomous generator of novel organic compounds from target physicochemical properties. It accelerates innovations in novel materials and…☆16Updated 7 years ago
- Quickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM☆49Updated 8 years ago
- 2D/3D generation for small compounds☆33Updated 5 years ago
- Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015☆46Updated 6 years ago
- Challenge inputs, details, and results for the SAMPL6 series of challenges☆54Updated 3 years ago
- This is a short tutorial showing how to use both VMD and MDAnalysis to analyse a molecular dynamics simulation of a membrane protein.☆28Updated 4 years ago
- CheTo - Chemical Topic Modeling☆32Updated 4 years ago
- 2018 RDKit UGM☆14Updated 6 years ago
- Membrane protein builder and parameterizer