João M. Damas's repositories
ansible
Ansible is a radically simple IT automation platform that makes your applications and systems easier to deploy. Avoid writing scripts or custom code to deploy and update your applications — automate in a language that approaches plain English, using SSH, with no agents to install on remote systems. https://docs.ansible.com/ansible/
Auto3D_pkg
Auto3D generates low-energy conformers from SMILES/SDF
cddd
Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.
manifesto
The OpenTF Manifesto expresses concern over HashiCorp's switch of the Terraform license from open-source to the Business Source License (BSL) and calls for the tool's return to a truly open-source license.
OpenNMT-py
Open Source Neural Machine Translation in PyTorch
pmapper
3D pharmacophore signatures and fingerprints
sphinx-argparse
Sphinx extension that automatically document argparse commands and options