quantum-chemistry
Tracked open-source repos tagged quantum-chemistry, sorted by stars.
Related topics
Topics that frequently appear alongside quantum-chemistry on the same repo.
Recent risers
Repos created in the last 90 days, tagged quantum-chemistry.
No new repos tagged with this topic in the last 90 days.
- #1
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
★ 6,973+6Star change over the last 7 days - #2
PennyLane is an open-source quantum software platform for quantum computing, quantum machine learning, and quantum chemistry. Create meaningful quantum algorithms, from inspiration to implementation.
★ 3,450+8Star change over the last 7 days - #3
Curated list of open-source quantum software projects.
★ 2,384+2Star change over the last 7 days - #4
Python package for compiling and analyzing quantum algorithms to simulate electronic structures.
★ 1,731+0Star change over the last 7 days - #5
A curated list of Python packages related to chemistry
★ 1,437+1Star change over the last 7 days - #6★ 1,217+2Star change over the last 7 days
- #7★ 1,198+3Star change over the last 7 days
- #8
SchNetPack - Deep Neural Networks for Atomistic Systems
★ 939+2Star change over the last 7 days - #9★ 838+1Star change over the last 7 days
- #10
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
★ 718+1Star change over the last 7 days - #11
Introductions to key concepts in quantum programming, as well as tutorials and implementations from cutting-edge quantum computing research.
★ 678+1Star change over the last 7 days - #12★ 624+3Star change over the last 7 days
- #13
TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network interatomic potentials. It was originally developed and is currently maintained by the Roitberg group.
★ 556+2Star change over the last 7 days
